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Tech isolv bse #141

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5bb4daa
Version 5.2.0, Revision 23157, Hash 0b52806c3a
sangallidavide Jun 1, 2024
e1699b6
Merge remote-tracking branch 'yambo-gpl/maintenance-master' into tech…
sangallidavide Jun 14, 2024
02307ba
Merge remote-tracking branch 'sangallidavide/tech-bse' into tech-isol…
sangallidavide Jun 15, 2024
4bfa707
Merge branch 'maintenance-master' into tech-isolv-bse
sangallidavide Jun 15, 2024
8933475
Merge remote-tracking branch 'yambo-gpl/tech-isolv-bse' into tech-iso…
sangallidavide Jun 15, 2024
2243a00
Version 5.2.0, Revision 23240, Hash 89334754e0
sangallidavide Jun 15, 2024
10f7cbb
Version 5.2.0, Revision 23241, Hash 2243a00016
sangallidavide Jun 16, 2024
c1d2561
Version 5.2.0, Revision 23242, Hash 10f7cbbc15
sangallidavide Jun 16, 2024
7bd3174
Merge branch 'master' into tech-isolv-bse
sangallidavide Jun 25, 2024
d877195
Use new slepc interface for BSE
May 28, 2024
b086bd6
Version 5.2.0, Revision 23256, Hash b06be9e3ad
sangallidavide Jun 27, 2024
c185a55
Creation of the "shell-nest" matrix
Jun 27, 2024
cc337c1
Merge branch 'master' into slepc_folded_spectrum
sangallidavide Jun 27, 2024
6956221
Version 5.2.0, Revision 23271, Hash 7bd3174f68
sangallidavide Jun 27, 2024
d1e2a5e
Merge branch 'slepc_folded_spectrum' into tech-isolv-bse
sangallidavide Jun 27, 2024
412aee7
Merge branch 'slepc_folded_spectrum' of github.com:blmelp/yambo into …
sangallidavide Jun 27, 2024
2b7638a
Merge branch 'slepc_folded_spectrum' into tech-isolv-bse
sangallidavide Jun 27, 2024
b0d4e6e
Version 5.2.0, Revision 23278, Hash 2b7638aab7
sangallidavide Jun 28, 2024
1aff63d
Merge remote-tracking branch 'yambo-gpl/tech-master'
sangallidavide Jul 10, 2024
1495a7c
Merge branch 'tech-master' into tech-isolv-bse
sangallidavide Jul 18, 2024
273bb95
Merge remote-tracking branch 'yambo-gpl/tech-isolv-bse' into tech-iso…
sangallidavide Jul 18, 2024
8bcedf9
Merge remote-tracking branch 'yambo-gpl/tech-master'
sangallidavide Jul 25, 2024
5b96845
Merge remote-tracking branch 'yambo-gpl/tech-master'
sangallidavide Jul 25, 2024
40ea57b
Version 5.2.0, Revision 23308, Hash 273bb95c93
sangallidavide Jul 31, 2024
161f7b2
Version 5.2.0, Revision 23309, Hash 40ea57b242
sangallidavide Jul 31, 2024
2ca81ea
Fixed compilation of internal slepc
sangallidavide Aug 1, 2024
3d8b18c
slepc Makefile.loc fixed
sangallidavide Aug 1, 2024
c167ba1
Version 5.2.0, Revision 23312, Hash 3d8b18c2a1
sangallidavide Aug 1, 2024
41b1c8d
Version 5.2.0, Revision 23313, Hash c167ba1b3e
sangallidavide Aug 1, 2024
af26006
Version 5.2.0, Revision 23313, Hash c167ba1b3e
sangallidavide Aug 6, 2024
53d083a
Version 5.2.0, Revision 23314, Hash af260068dc
sangallidavide Aug 6, 2024
afa3cee
Merge remote-tracking branch 'sangallidavide/tech-isolv-bse' into tec…
sangallidavide Aug 6, 2024
2bdac37
Version 5.2.0, Revision 23317, Hash afa3cee44e
sangallidavide Aug 7, 2024
a6ab97e
Version 5.2.0, Revision 23318, Hash 2bdac3764b
sangallidavide Aug 7, 2024
8a3fa13
Version 5.2.0, Revision 23125, Hash 3d7b25df8
andreamarini Aug 8, 2024
cce1c9c
Version 5.2.0, Revision 23126, Hash 8a3fa13ff
andreamarini Aug 8, 2024
9ae445c
Version 5.2.0, Revision 23319, Hash a6ab97e3e9
sangallidavide Aug 8, 2024
fcac5b8
Version 5.2.0, Revision 23320, Hash 9ae445cd99
sangallidavide Aug 8, 2024
c623bec
Version 5.2.0, Revision 23321, Hash fcac5b8cb0
sangallidavide Aug 8, 2024
495d8c1
Version 5.2.0, Revision 23322, Hash c623bec924
sangallidavide Aug 9, 2024
97af247
Version 5.2.0, Revision 23127, Hash cce1c9c56
andreamarini Aug 12, 2024
84b986c
Version 5.2.0, Revision 23128, Hash 97af24707
andreamarini Aug 13, 2024
7b325be
Version 5.2.0, Revision 23129, Hash 84b986c6f
andreamarini Aug 13, 2024
6cae799
Version 5.2.0, Revision 23130, Hash 7b325be9d
andreamarini Aug 13, 2024
ebfa78f
Version 5.2.0, Revision 23131, Hash 6cae799cf
andreamarini Aug 13, 2024
25643c5
Version 5.2.0, Revision 23132, Hash ebfa78f01
andreamarini Aug 13, 2024
7972400
Version 5.2.0, Revision 23133, Hash 25643c55b
andreamarini Aug 13, 2024
aaf4815
Version 5.2.0, Revision 23134, Hash 7972400e3
andreamarini Aug 13, 2024
c680375
Version 5.2.0, Revision 23135, Hash aaf4815a9
andreamarini Aug 13, 2024
355507e
Version 5.2.0, Revision 23136, Hash c68037505
andreamarini Aug 13, 2024
3554719
Version 5.2.0, Revision 23097, Hash f50165bfd
andreamarini Aug 14, 2024
32b7dab
Version 5.2.0, Revision 23125, Hash 3d7b25df8
andreamarini Aug 20, 2024
5a969f6
Merge branch 'phys-master' into phys-levels_degeneracy
andreamarini Aug 20, 2024
101a8e7
Version 5.2.0, Revision 23137, Hash 355507ea9
andreamarini Aug 20, 2024
ee8d280
Version 5.2.0, Revision 23323, Hash 495d8c1623
sangallidavide Aug 21, 2024
271b385
Version 5.2.0, Revision 23324, Hash ee8d280806
sangallidavide Aug 21, 2024
9c82587
Version 5.2.0, Revision 23138, Hash 101a8e7e0
andreamarini Aug 21, 2024
cd3d517
Version 5.2.0, Revision 23139, Hash 9c825873b
andreamarini Aug 21, 2024
563f598
Version 5.2.0, Revision 23140, Hash cd3d51724
andreamarini Aug 21, 2024
fd381f3
Debugging is not the default for internal compilation of petsc (and …
sangallidavide Aug 21, 2024
3a51862
Version 5.2.0, Revision 23128, Hash 5a969f61e
andreamarini Aug 22, 2024
7a85112
Version 5.2.0, Revision 23141, Hash 563f598be
andreamarini Aug 22, 2024
3b61fa0
Version 5.2.0, Revision 23129, Hash 3a51862bc
andreamarini Aug 23, 2024
1b9fb3f
Version 5.2.0, Revision 23142, Hash 7a85112fd
andreamarini Aug 23, 2024
3281c34
Saving small changes
sangallidavide Aug 26, 2024
7cf136a
Merge remote-tracking branch 'yambo-gpl/maintenance-master'
sangallidavide Sep 14, 2024
81e39e4
Version 5.2.0, Revision 23130, Hash 3b61fa0e1
andreamarini Sep 17, 2024
6c194b1
Merge branch 'tech-master' into tech-isolv-bse
sangallidavide Sep 24, 2024
af2f6eb
Version 5.2.0, Revision 23335, Hash 6c194b1d04
sangallidavide Sep 24, 2024
a0f12c8
Merge branch 'tech-isolv-bse' of github.com:yambo-code/yambo into tec…
sangallidavide Sep 24, 2024
4815d28
Merge remote-tracking branch 'yambo-gpl/tech-gpu' into tech-isolv-bse
sangallidavide Sep 27, 2024
9a7353b
Version 5.2.0, Revision 23127, Hash 5d3f15613
andreamarini Oct 2, 2024
7e387d7
Version 5.2.0, Revision 23127, Hash 5d3f156137
sangallidavide Oct 2, 2024
0aefd4d
Version 5.2.0, Revision 23131, Hash 81e39e439
andreamarini Oct 3, 2024
d34e127
Merge remote-tracking branch 'yambo-gpl/tech-master'
sangallidavide Oct 4, 2024
b3508d4
Version 5.2.0, Revision 23132, Hash 0aefd4da0
andreamarini Oct 4, 2024
9871c7d
Version 5.2.0, Revision 23133, Hash b3508d420d
andreamarini Oct 7, 2024
44c4698
openmp and memory consistency fixes
andrea-ferretti Oct 7, 2024
d843dea
Merge pull request #123 from yambo-code/phys-levels_degeneracy
andreamarini Oct 8, 2024
ae76dee
Merge branch 'maintenance-master' into maintenance-dipoles
andreamarini Oct 8, 2024
1655f53
Merge branch 'phys-master' into maintenance-master
andreamarini Oct 8, 2024
5d4aab1
Merge branch 'maintenance-master' into maintenance-dipoles
andreamarini Oct 8, 2024
ec865dc
Version 5.2.0, Revision 23161, Hash 5d4aab17f
andreamarini Oct 10, 2024
a89c09e
Version 5.2.0, Revision 23141, Hash 1655f53fe3
sangallidavide Oct 9, 2024
efbf073
Version 5.2.0, Revision 23163, Hash a89c09e013
sangallidavide Oct 11, 2024
dee9922
Version 5.2.0, Revision 23164, Hash efbf073452
sangallidavide Oct 11, 2024
d054fb2
Merge branch 'tech-master' into tech-isolv-bse
sangallidavide Oct 11, 2024
b476822
Version 5.2.0, Revision 23341, Hash d054fb20ed
sangallidavide Oct 11, 2024
ce959ae
Version 5.2.0, Revision 23342, Hash b476822387
sangallidavide Oct 11, 2024
e7f5d97
Merge remote-tracking branch 'yambo-gpl/tech-master'
sangallidavide Oct 12, 2024
ebc1837
Merge remote-tracking branch 'yambo-gpl/tech-isolv-bse' into tech-iso…
sangallidavide Oct 12, 2024
9e8a9f9
Version 5.2.0, Revision 23661, Hash ebc1837743
sangallidavide Oct 12, 2024
22bc1d6
Merge remote-tracking branch 'yambo-gpl/tech-gpu' into tech-isolv-bse
sangallidavide Oct 12, 2024
4abb939
Merge branch 'tech-slk' into tech-isolv-bse
sangallidavide Oct 13, 2024
c315d57
Merge remote-tracking branch 'yambo-gpl/tech-master'
sangallidavide Oct 13, 2024
25ad136
Version 5.2.0, Revision 23165, Hash dee9922c5a
sangallidavide Oct 17, 2024
c571d4a
Merge remote-tracking branch 'yambo-gpl/tech-gpu'
sangallidavide Oct 20, 2024
1639eaf
Merge branch 'master' into tech-isolv-bse
sangallidavide Oct 20, 2024
ed7dfec
Merge remote-tracking branch 'yambo-gpl/tech-gpu'
sangallidavide Oct 22, 2024
0f8ae6b
Merge branch 'master' into tech-isolv-bse
sangallidavide Oct 22, 2024
a24c462
Merge remote-tracking branch 'sangallidavide/tech-isolv-bse' into tec…
sangallidavide Oct 22, 2024
79ace91
Merge branch 'tech-master' into tech-isolv-bse
sangallidavide Oct 23, 2024
a26f7cc
Version 5.3.0, Revision 23850, Hash 79ace91a11
sangallidavide Oct 23, 2024
718bd45
Version 5.2.0, Revision 23166, Hash 25ad1365b
andreamarini Oct 28, 2024
6a7c1eb
Merge branch 'tech-master' into tech-isolv-bse
sangallidavide Nov 10, 2024
3d9d10d
Version 5.3.0, Revision 23864, Hash 6a7c1eb110
sangallidavide Nov 10, 2024
a57fe2c
Version 5.3.0, Revision 23865, Hash 3d9d10d40a
sangallidavide Nov 13, 2024
f9985b5
Version 5.3.0, Revision 23866, Hash a57fe2c717
sangallidavide Nov 14, 2024
8750a03
Version 5.3.0, Revision 23867, Hash f9985b570f
sangallidavide Nov 14, 2024
27b8401
Merge branch 'tech-master' into tech-isolv-bse
sangallidavide Nov 21, 2024
5070654
Version 5.2.0, Revision 23167, Hash 718bd4594
andreamarini Nov 26, 2024
6230811
Merge branch 'maintenance-master' into 5.3
attacc Nov 27, 2024
27aee73
Automatic commit: configure regenerated after merge
attacc Nov 27, 2024
e76c856
Version 5.2.0, Revision 23854, Hash 27aee7365e
attacc Nov 27, 2024
a0e94ea
Working on compilation
attacc Nov 27, 2024
ee1983a
Version 5.2.0, Revision 23856, Hash a0e94ead90
attacc Nov 27, 2024
f756226
Version 5.2.0, Revision 23857, Hash ee1983a80f
attacc Nov 27, 2024
76a9727
Version 5.2.0, Revision 23858, Hash f7562267d1
attacc Nov 27, 2024
3e234cb
Version 5.2.0, Revision 23859, Hash 76a9727737
attacc Nov 27, 2024
c6853fe
Version 5.2.0, Revision 23860, Hash 3e234cb8ca
attacc Nov 27, 2024
cb4195b
Version 5.2.0, Revision 23861, Hash c6853fe7cc
attacc Nov 27, 2024
e5c0c10
Version 5.2.0, Revision 23862, Hash cb4195b08d
sangallidavide Nov 27, 2024
1ad0edd
Version 5.2.0, Revision 23863, Hash e5c0c10ceb
attacc Nov 27, 2024
9f2f9c2
Version 5.2.0, Revision 23864, Hash 1ad0edd816
attacc Nov 27, 2024
8fbdf4a
Version 5.2.0, Revision 23865, Hash 9f2f9c2641
attacc Nov 27, 2024
83ac262
Version 5.2.0, Revision 23866, Hash 8fbdf4a093
sangallidavide Nov 27, 2024
bf91088
Version 5.2.0, Revision 23867, Hash 83ac26213c
sangallidavide Nov 27, 2024
5626cad
Version 5.2.0, Revision 23868, Hash bf9108895c
sangallidavide Nov 28, 2024
2b99d94
Version 5.2.0, Revision 23868, Hash bf9108895
andreamarini Nov 28, 2024
f6994cb
Merge branch '5.3' of github.com:yambo-code/yambo into 5.3
andreamarini Nov 28, 2024
66de4a6
compilation fixed
andrea-ferretti Nov 28, 2024
edb0796
Version 5.2.0, Revision 23872, Hash 66de4a6bba
attacc Nov 28, 2024
2432b58
bug fixed in DIP workspace allocations
andrea-ferretti Nov 28, 2024
b1118c8
Merge branch '5.3' of github.com:yambo-code/yambo into 5.3
andrea-ferretti Nov 28, 2024
6f78224
Version 5.2.0, Revision 23875, Hash b1118c8d9
attacc Nov 29, 2024
761e598
Version 5.3.0, Revision 23876, Hash 6f78224130
sangallidavide Nov 30, 2024
145a6c3
Version 5.3.0, Revision 23877, Hash 761e598735
attacc Nov 30, 2024
ffb5b21
Version 5.3.0, Revision 23878, Hash 145a6c347e
sangallidavide Nov 30, 2024
dc86368
Version 5.3.0, Revision 23879, Hash ffb5b21f0e
sangallidavide Nov 30, 2024
51ccc46
Version 5.3.0, Revision 23880, Hash dc8636813e
sangallidavide Nov 30, 2024
ca711d2
Version 5.3.0, Revision 23881, Hash 51ccc4644
attacc Dec 2, 2024
4d20cdb
Version 5.3.0, Revision 23882, Hash ca711d2b0
attacc Dec 2, 2024
665cb81
Merge branch 'tech-master' into tech-isolv-bse
sangallidavide Dec 2, 2024
afb82f3
Version 5.3.0, Revision 23883, Hash 4d20cdbf02
sangallidavide Dec 4, 2024
26ead10
Version 5.3.0, Revision 23872, Hash 27b840107a
sangallidavide Dec 5, 2024
24d60eb
Merge remote-tracking branch 'sangallidavide/tech-isolv-bse' into tec…
sangallidavide Dec 5, 2024
3c4af63
Version 5.3.0, Revision 23884, Hash afb82f3ac
attacc Dec 6, 2024
4679caf
Version 5.3.0, Revision 23885, Hash 3c4af63af
attacc Dec 6, 2024
d7cf4a0
Version 5.3.0, Revision 23886, Hash 4679cafa1
attacc Dec 9, 2024
8803efb
Version 5.3.0, Revision 23887, Hash d7cf4a00d
attacc Dec 9, 2024
482cde7
Version 5.3.0, Revision 23888, Hash 8803efb31
attacc Dec 9, 2024
01005b4
Version 5.3.0, Revision 23889, Hash 482cde76e8
attacc Dec 10, 2024
82cb182
Version 5.3.0, Revision 23890, Hash 01005b4b32
attacc Dec 10, 2024
f4ffae3
Version 5.3.0, Revision 23891, Hash 82cb1824e
attacc Dec 11, 2024
679093e
Merge branch 'master' into tech-isolv-bse
sangallidavide Dec 11, 2024
04bbd27
Version 5.2.0, Revision 23950, Hash 679093ec7f
sangallidavide Dec 11, 2024
b8c1c16
Merge branch '5.3' into tech-isolv-bse
sangallidavide Dec 11, 2024
5e47aef
Version 5.3.0, Revision 23968, Hash b8c1c1628c
sangallidavide Dec 11, 2024
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20 changes: 10 additions & 10 deletions Makefile
Original file line number Diff line number Diff line change
Expand Up @@ -33,25 +33,25 @@ help:
changelog:
./sbin/gitchangelog.py > ChangeLog
interfaces:
@for target in $(INTERFCS) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(INTERFCS) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
gpl:
@for target in $(GPL) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(GPL) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
core:
@for target in $(CORE) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(CORE) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
ph-project:
@for target in $(PH_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(PH_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
sc-project:
@for target in $(SC_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(SC_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
mag-project:
@for target in $(MAG_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(MAG_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
rt-project:
@for target in $(RT_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(RT_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
nl-project:
@for target in $(NL_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(NL_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
main:
@for target in $(MAIN) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(MAIN) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
all:
@for target in $(ALL) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
@for target in $(ALL) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
ext-libs:
@for target in $(EXT_LIBS) ; do if ! test "$$target" = Ydriver; then $(MAKE) $(MAKEFLAGS) $$target; fi; done
int-libs:
Expand Down
16 changes: 8 additions & 8 deletions config/m4/acx_fortran_flags.m4
Original file line number Diff line number Diff line change
Expand Up @@ -78,7 +78,7 @@ i?86*linux*)
NETCDFFLAGS="-DgFortran"
DEBUG_FLAGS="-Og -g -Wall -pedantic -fbounds-check -ffpe-trap=invalid,zero,overflow"
;;
*ifort*)
*ifort* | *ifx* )
OMPFLAGS="-openmp"
NETCDFFLAGS="-DpgiFortran"
CPU_FLAG=""
Expand All @@ -88,7 +88,7 @@ i?86*linux*)
CPU_FLAG="-xHost"
#CPU_FLAG=" "
;;
*2021* )
*2021* | *2022* | *2023* | *2024* | *2025* )
CPU_FLAG=" "
OMPFLAGS="-qopenmp -parallel"
FCMFLAG="-nofor-main"
Expand All @@ -104,7 +104,7 @@ i?86*linux*)
CPU_FLAG=" "
;;
esac
SYSFLAGS="-assume bscc -O3 -g -ip $CPU_FLAG"
SYSFLAGS="-assume bscc -O2 -g $CPU_FLAG"
FUFLAGS="-assume bscc -O0 $CPU_FLAG"
DEBUG_FLAGS="-check all -CB -traceback -check bound"
;;
Expand Down Expand Up @@ -166,7 +166,7 @@ i?86*linux*)
CPU_FLAG="-mtune=pentium4"
;;
esac
SYSFLAGS="-assume bscc -O3 -g -ip ${CPU_FLAG}"
SYSFLAGS="-assume bscc -O3 -g ${CPU_FLAG}"
FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}"
FCMFLAG="-nofor_main"
OMPFLAGS="-openmp"
Expand Down Expand Up @@ -243,7 +243,7 @@ ia64*linux* )
CPU_FLAG=""
;;
esac
SYSFLAGS="-assume bscc -O2 -g -ip ${CPU_FLAG}"
SYSFLAGS="-assume bscc -O2 -g ${CPU_FLAG}"
FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}"
FCMFLAG="-nofor_main"
OMPFLAGS="-openmp"
Expand Down Expand Up @@ -329,7 +329,7 @@ aarch*linux* | arm*linux* )
OMPFLAGS="-openmp"
NETCDFFLAGS="-DpgiFortran"
;;
*ifort*)
*ifort* | *ifx* )
OMPFLAGS="-openmp"
CPU_FLAG=""
FCMFLAG="-nofor_main"
Expand All @@ -338,7 +338,7 @@ aarch*linux* | arm*linux* )
#CPU_FLAG="-xHost"
CPU_FLAG=" "
;;
*2020* | *2021* )
*2020* | *2021* | *2022* | *2023* | *2024* | *2025* )
CPU_FLAG=" "
OMPFLAGS="-qopenmp -parallel"
FCMFLAG="-nofor-main"
Expand All @@ -361,7 +361,7 @@ aarch*linux* | arm*linux* )
CPU_FLAG=" "
;;
esac
SYSFLAGS="-assume bscc -O3 -g -ip ${CPU_FLAG}"
SYSFLAGS="-assume bscc -O2 -g ${CPU_FLAG}"
FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}"
NETCDFFLAGS="-DpgiFortran"
DEBUG_FLAGS="-CB -traceback -debug full"
Expand Down
2 changes: 1 addition & 1 deletion config/m4/acx_fpp.m4
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ case "${FC}" in
#
# does not work properly
#
*ifort*)
*ifort* | *ifx* )
if test -z "$FPP"; then FPP="fpp -free -P"; fi
;;
*gfortran | *g95)
Expand Down
14 changes: 9 additions & 5 deletions config/m4/acx_get_fc_kind.m4
Original file line number Diff line number Diff line change
Expand Up @@ -35,11 +35,7 @@ case "${FC}" in
FCKIND="intel"
FCVERSION=`$FC -v 2>&1`
;;
*ifx*)
FCKIND="intel"
FCVERSION=`$FC -v 2>&1`
;;
*ifort*)
*ifort* | *ifx* )
FCKIND="intel"
FCVERSION=`$FC -v 2>&1`
$FC -v >& ver_
Expand All @@ -56,6 +52,10 @@ case "${FC}" in
VER_18=`grep 18. ver_ | wc -l`
VER_19=`grep 19. ver_ | wc -l`
VER_2021=`grep 2021. ver_ | wc -l`
VER_2022=`grep 2022. ver_ | wc -l`
VER_2023=`grep 2023. ver_ | wc -l`
VER_2024=`grep 2024. ver_ | wc -l`
VER_2025=`grep 2025. ver_ | wc -l`
if ! test "$VER_8" = "0"; then INTELVERSION="8" ; fi
if ! test "$VER_9" = "0"; then INTELVERSION="9" ; fi
if ! test "$VER_10" = "0"; then INTELVERSION="10" ; fi
Expand All @@ -69,6 +69,10 @@ case "${FC}" in
if ! test "$VER_18" = "0"; then INTELVERSION="18" ; fi
if ! test "$VER_19" = "0"; then INTELVERSION="19" ; fi
if ! test "$VER_2021" = "0"; then INTELVERSION="2021" ; fi
if ! test "$VER_2022" = "0"; then INTELVERSION="2022" ; fi
if ! test "$VER_2023" = "0"; then INTELVERSION="2023" ; fi
if ! test "$VER_2024" = "0"; then INTELVERSION="2024" ; fi
if ! test "$VER_2025" = "0"; then INTELVERSION="2025" ; fi
rm -f ver_
;;
*)
Expand Down
14 changes: 7 additions & 7 deletions config/m4/acx_mpi.m4
Original file line number Diff line number Diff line change
Expand Up @@ -16,11 +16,11 @@ AC_LANG_CASE([C], [
AC_REQUIRE([AC_PROG_CC])
AC_ARG_VAR(MPICC,[Parallel C compiler command])
if test x"$MPICC" = "x" ; then
AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc hcc mpcc mpcc_r mpxlc cmpicc, $CC)
AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc mpiicpx hcc mpcc mpcc_r mpxlc cmpicc, $CC)
else
AC_CHECK_FILES($MPICC,
[MPICC_test=$MPICC],
[AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc hcc mpcc mpcc_r mpxlc cmpicc, $CC)])
[AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc mpiicpx hcc mpcc mpcc_r mpxlc cmpicc, $CC)])
fi
MPICC=$MPICC_test
CC=$MPICC_test
Expand All @@ -38,13 +38,13 @@ AC_LANG_CASE([C], [
if ! test x"$MPIF77" = "x" ; then
AC_CHECK_FILE($MPIF77,
[MPIF77_test=$MPIF77],
[AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
[AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
elif ! test x"$MPIFC" = "x" ; then
AC_CHECK_FILE($MPIFC,
[MPIF77_test=$MPIFC],
[AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
[AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
else
AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)
AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)
fi
MPIF77=$MPIF77_test
F77=$MPIF77_test
Expand All @@ -53,11 +53,11 @@ AC_LANG_CASE([C], [
AC_REQUIRE([AC_PROG_FC])
AC_ARG_VAR(MPIFC,[Parallel Fortran compiler command])
if test x"$MPIFC" = "x" ; then
AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)
AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpif90 mpiifx mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)
else
AC_CHECK_FILE($MPIFC,
[MPIFC_test=$MPIFC],
[AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)])
[AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpiifx mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)])
fi
MPIFC=$MPIFC_test
FC=$MPIFC_test
Expand Down
8 changes: 6 additions & 2 deletions config/m4/acx_report.m4
Original file line number Diff line number Diff line change
Expand Up @@ -118,19 +118,21 @@ if test "$internal_blacs" = "yes" ; then
fi
#
PETSC_check="-"
PETSC_info=""
if test "$internal_petsc" = "yes" ; then
if test "$compile_petsc" = "yes" ; then PETSC_check="C"; fi
if test "$compile_petsc" = "no" ; then PETSC_check="I"; fi
if ! test "$with_petsc_branch" = "none"; then PETSC_LIBS="$PETSC_LIBS (git branch $with_petsc_branch)"; fi
if ! test "$with_petsc_branch" = "none"; then PETSC_info="(git branch $with_petsc_branch)"; fi
elif test "$enable_petsc" = "yes" ; then
PETSC_check="E"
fi
#
SLEPC_check="-"
SLEPC_info=""
if test "$internal_slepc" = "yes" ; then
if test "$compile_slepc" = "yes" ; then SLEPC_check="C"; fi
if test "$compile_slepc" = "no" ; then SLEPC_check="I"; fi
if ! test "$with_slepc_branch" = "none"; then SLEPC_LIBS="$SLEPC_LIBS (git branch $with_slepc_branch)"; fi
if ! test "$with_slepc_branch" = "none"; then SLEPC_info="(git branch $with_slepc_branch)"; fi
elif test "$enable_slepc" = "yes" ; then
SLEPC_check="E"
fi
Expand Down Expand Up @@ -224,6 +226,8 @@ AC_SUBST(BLACS_check)
AC_SUBST(SLK_check)
AC_SUBST(PETSC_check)
AC_SUBST(SLEPC_check)
AC_SUBST(PETSC_info)
AC_SUBST(SLEPC_info)
#
AC_SUBST(YDB_check)
AC_SUBST(YPY_check)
Expand Down
2 changes: 1 addition & 1 deletion config/m4/device_xlib.m4
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
#
#
# Copyright (C) 2000-2021 the YAMBO team
# http://www.yambo-code.org
# http://www.yambo-code.eu
#
# Authors (see AUTHORS file for details): DS
#
Expand Down
4 changes: 3 additions & 1 deletion config/m4/gpu.m4
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
#
# Copyright (C) 2000-2021 the YAMBO team
# http://www.yambo-code.org
# http://www.yambo-code.eu
#
# Authors (see AUTHORS file for details): AF
#
Expand Down Expand Up @@ -194,6 +194,7 @@ if test x"$enable_cuda_fortran" != "xno" ; then
# Flags to be passed to the devicexlib library
#
DEVXLIB_FLAGS="--enable-openmp --enable-cuda-fortran --with-cuda-cc=${with_cuda_cc} --with-cuda-runtime=${with_cuda_runtime}"
PETSC_FLAGS="--with-cuda"
#
case "${FCVERSION}" in
*nvfortran*)
Expand Down Expand Up @@ -295,6 +296,7 @@ AC_SUBST(GPU_LIBS)
AC_SUBST(GPU_INCS)
AC_SUBST(DEVXLIB_FLAGS)
AC_SUBST(DEVXLIB_CUDALIBS)
AC_SUBST(PETSC_FLAGS)
AC_SUBST(LIBROCM_LIBS)
AC_SUBST(LIBROCM_INCS)
AC_SUBST(LIBROCM_PATH)
Expand Down
2 changes: 1 addition & 1 deletion config/m4/libcuda.m4
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
#
#
# Copyright (C) 2000-2021 the YAMBO team
# http://www.yambo-code.org
# http://www.yambo-code.eu
#
# Authors (see AUTHORS file for details): DS
#
Expand Down
7 changes: 6 additions & 1 deletion config/m4/scalapack.m4
Original file line number Diff line number Diff line change
Expand Up @@ -54,6 +54,11 @@ fi
#
# Parse configure options
#
if test "$enable_par_linalg" = "yes" ; then
enable_blacs="internal" ;
enable_scalapack="internal" ;
fi
#
case $with_blacs_libs in
yes) enable_blacs="internal" ;;
no) enable_blacs="no" ; enable_par_linalg="no" ;;
Expand Down Expand Up @@ -127,7 +132,7 @@ if test "$mpibuild" = "yes"; then
fi
#
if test "$mpif_found" = "yes" && test "$enable_blacs" = "internal"; then
enable_blacs="yes"
enable_blacs="yes";
internal_blacs="yes";
BLACS_LIBS="${extlibs_path}/${FCKIND}/${FC}/lib/libblacs.a ${extlibs_path}/${FCKIND}/${FC}/lib/libblacs_C_init.a ${extlibs_path}/${FCKIND}/${FC}/lib/libblacs_init.a";
if test -e "${extlibs_path}/${FCKIND}/${FC}/lib/libblacs.a" && test -e "${extlibs_path}/${FCKIND}/${FC}/lib/libblacs_init.a"; then
Expand Down
2 changes: 1 addition & 1 deletion config/mk/global/actions/compile_interfaces.mk
Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,7 @@ $(GOALS):
@$(MAKE) $(MAKEFLAGS) dependencies
@$(MAKE) $(MAKEFLAGS) ext-libs
@$(MAKE) $(MAKEFLAGS) int-libs
@+LIBS="$(2Y_LIBS)";BASE="src";ADF="$(I_PRECMP) -D_$@";$(todo_lib);$(mk_lib)
@+LIBS="$(2Y_LIBS)";LAB="_Y_";BASE="src";ADF="$(I_PRECMP) -D_$@";$(todo_lib);$(mk_lib)
@+LIBS="int_modules";BASE="interfaces";ADF="$(I_PRECMP)";$(todo_lib);$(mk_lib)
@+X2DO="$@";BASE="interfaces/$@";XLIBS="$(2Y_LIBS_LD)";ADF="$(I_PRECMP)";$(todo_driver)
@+X2DO="$@";BASE="interfaces/$@";XLIBS="$(2Y_LIBS_LD)";ADF="$(I_PRECMP)";$(mk_exe)
4 changes: 2 additions & 2 deletions config/mk/global/actions/compile_yambo.mk
Original file line number Diff line number Diff line change
Expand Up @@ -30,14 +30,14 @@ endif
#
# Compilation
#
yambo yambo_ph yambo_sc yambo_rt yambo_nl:
yambo yambo_ph yambo_sc yambo_rt yambo_nl:
@rm -f ${compdir}/log/"compile_"$@".log"
@rm -f ${compdir}/config/stamps_and_lists/[email protected]
@touch ${compdir}/config/stamps_and_lists/[email protected]
@$(call todo_precision,$(PRECMP))
@$(MAKE) $(MAKEFLAGS) dependencies
@$(MAKE) $(MAKEFLAGS) ext-libs
@$(MAKE) $(MAKEFLAGS) int-libs
@+LIBS="$(SRC_LIBS)";BASE="src";ADF="$(PRECMP) -D_yambo";$(todo_lib);$(mk_lib)
@+LIBS="$(SRC_LIBS)";LAB="_Y_";BASE="src";ADF="$(PRECMP) -D_yambo";$(todo_lib);$(mk_lib)
@+X2DO="$@";BASE="driver";XLIBS="$(EXE_LIBS)";ADF="$(PRECMP)";$(todo_driver)
@+X2DO="$@";BASE="driver";XLIBS="$(EXE_LIBS)";ADF="$(PRECMP)";$(mk_exe)
4 changes: 2 additions & 2 deletions config/mk/global/actions/compile_ypp.mk
Original file line number Diff line number Diff line change
Expand Up @@ -52,7 +52,7 @@ ypp ypp_ph ypp_sc ypp_rt_gpl ypp_rt ypp_nl:
@$(MAKE) $(MAKEFLAGS) dependencies
@$(MAKE) $(MAKEFLAGS) ext-libs
@$(MAKE) $(MAKEFLAGS) int-libs
@+LIBS="$(Y_SRC_LIBS)";BASE="src";ADF="$(Y_PRECMP) -D_ypp";$(todo_lib);$(mk_lib)
@+LIBS="$(YPP_SRC_LIBS)";LAB="_ypp_";BASE="ypp";ADF="$(YPP_PRECMP)";$(todo_lib);$(mk_lib)
@+LIBS="$(Y_SRC_LIBS)";LAB="_Y_";BASE="src";ADF="$(Y_PRECMP) -D_ypp";$(todo_lib);$(mk_lib)
@+LIBS="$(YPP_SRC_LIBS)";LAB="_YPP_";BASE="ypp";ADF="$(YPP_PRECMP)";$(todo_lib);$(mk_lib)
@+X2DO="$@";BASE="driver";XLIBS="$(Y_EXE_LIBS)";X_ypp_LIBS="$(YPP_EXE_LIBS)";ADF="$(YPP_PRECMP)";$(todo_driver)
@+X2DO="$@";BASE="driver";XLIBS="$(Y_EXE_LIBS)";X_ypp_LIBS="$(YPP_EXE_LIBS)";ADF="$(YPP_PRECMP)";$(mk_exe)
7 changes: 4 additions & 3 deletions config/mk/global/functions/help.mk
Original file line number Diff line number Diff line change
Expand Up @@ -6,7 +6,7 @@
# Authors (see AUTHORS file for details): AM
#
define yambo_help
$(ECHO) "\n This is $(y_version)";
$(ECHO) "\n This is $(y_version)\n";
if [ "$(1)" = "header" ] || [ -z "$(1)" ] ; then \
$(ECHO) "\n Use the following commands to get specific help:\n" ;\
$(ECHO) " to get general info on the Yambo projects included in this source use:\n >make help what=intro" ;\
Expand All @@ -31,8 +31,9 @@ define yambo_help
$(ECHO) "\n *** Utils ***";\
$(ECHO) -n " [utils] "; for target in $(UTILS); do $(ECHO) -n " $$target" ; done;$(ECHO) ;\
$(ECHO) "\n *** Files & Packages ***" ;\
$(ECHO) " make check-packages = check the packages required (and optional) for Yambo to compile correctly";\
$(ECHO) " make check-files = list all git untracked files and empty directories.";\
$(ECHO) " make check-packages = check the packages required (and optional) for Yambo to compile correctly";\
$(ECHO) " make check-files = list all git untracked files and empty directories.";\
$(ECHO) " make dependencies what=update = clean and update the .mod dependencies files.";\
$(ECHO) "\n *** Cleaning ***" ;\
$(ECHO) " The cleaning procedure of yambo is divided in several modules: bin int-libs driver src ypp interfaces conf dep";\
$(ECHO) " Each of these module can be called by using";\
Expand Down
7 changes: 3 additions & 4 deletions config/mk/global/functions/mk_exe.mk
Original file line number Diff line number Diff line change
Expand Up @@ -6,12 +6,11 @@
# Authors (see AUTHORS file for details): AM
#
define mk_exe
LLIBS="";for lib in $$XLIBS; do if test -f $(compdir)/lib/lib$$lib.a; then LLIBS="$$LLIBS -l$$lib" ; fi; done ; \
for lib in $$X_ypp_LIBS; do if test -f $(compdir)/lib/lib_ypp_$$lib.a; then LLIBS="$$LLIBS -l_ypp_$$lib" ; fi ; done ; \
LLIBS="";for lib in $$XLIBS; do if test -f $(compdir)/lib/lib_Y_$$lib.a; then LLIBS="$$LLIBS -l_Y_$$lib" ; fi; done ; \
for lib in $$X_ypp_LIBS; do if test -f $(compdir)/lib/lib_YPP_$$lib.a; then LLIBS="$$LLIBS -l_YPP_$$lib" ; fi ; done ; \
for exe in $$X2DO; do \
if test ! -f $(compdir)/config/stamps_and_lists/$$exe.stamp && test ! -f $(compdir)/config/stamps_and_lists/compilation_stop_$$exe.stamp; then \
DLIBS="-ldriver"; \
./sbin/compilation/helper.sh -d $$BASE -t $$exe -o .objects -m x -g $@ -- "$$DLIBS $$LLIBS $(xcpp) $$ADF"; \
./sbin/compilation/helper.sh -d $$BASE -t $$exe -o .objects -m x -g $@ -- "$$LLIBS $(xcpp) $$ADF"; \
cd $$BASE ; $(MAKE) $(MAKEFLAGS) VPATH=$(srcdir)/$$BASE exe || { grep Error $(compdir)/log/[email protected] ; exit "$$?"; } ; cd $(compdir); \
fi;\
if test ! -f $(compdir)/config/stamps_and_lists/$$exe.stamp; then \
Expand Down
10 changes: 5 additions & 5 deletions config/mk/global/libraries.mk
Original file line number Diff line number Diff line change
Expand Up @@ -14,15 +14,15 @@ include lib/archive/package.list
#
INT_LIBS = qe_pseudo slatec math77 local
YAMBO_INT_LIBS= Yio
YLIBIO = Ymodules Yio
YLIBIO = modules Yio
YLIBIO_LD = $(YLIBIO)
#
# Yambo folders
#===============
#
BASIC_LIBS = driver tools Ymodules memory allocations matrices linear_algebra parallel parser communicate output common timing Yio io $(IO_MODE) \
BASIC_LIBS = driver tools modules memory allocations matrices linear_algebra parallel parser communicate output common timing Yio io $(IO_MODE) \
xc_functionals interface stop_and_restart wf_and_fft bz_ops coulomb
BASIC_LIBS_LD= tools memory allocations communicate Ymodules matrices linear_algebra bz_ops parallel parser output common timing Yio io $(IO_MODE) \
BASIC_LIBS_LD= driver tools memory allocations communicate modules matrices linear_algebra bz_ops parallel parser output common timing Yio io $(IO_MODE) \
xc_functionals interface stop_and_restart wf_and_fft coulomb

MAIN_LIBS = $(BASIC_LIBS) interpolate qp_control setup tddft dipoles pol_function qp acfdt bse
Expand Down Expand Up @@ -55,9 +55,9 @@ PJ_NLLIBS_LD = $(BASIC_LIBS_LD) interpolate real_time_control qp_control setup \
# Yambo folders needed by Interfaces
#=====================================
#
2Y_LIBS = driver tools Ymodules memory allocations matrices linear_algebra parallel parser communicate output common timing Yio io $(IO_MODE) \
2Y_LIBS = driver tools modules memory allocations matrices linear_algebra parallel parser communicate output common timing Yio io $(IO_MODE) \
setup interface stop_and_restart bz_ops
2Y_LIBS_LD = tools memory allocations communicate Ymodules matrices linear_algebra parallel parser output common timing Yio io $(IO_MODE) \
2Y_LIBS_LD = driver tools memory allocations communicate modules matrices linear_algebra parallel parser output common timing Yio io $(IO_MODE) \
setup interface stop_and_restart bz_ops
#
# YPP folders
Expand Down
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