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[draft] Testing Salmon/Openmp #391

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[draft] Testing Salmon/Openmp #391

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95dbc66
change to default-compiler, try out on dane tomorrow
dyokelson Oct 4, 2024
c89d2e6
Add CI on x86 and default-compiler to cmake
dyokelson Oct 6, 2024
e5461b0
remove .tpl file
dyokelson Oct 9, 2024
76cd002
running on ruby
slabasan Jan 15, 2025
406d7c3
consistent compiler between ruby and fugaku
slabasan Jan 15, 2025
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10 changes: 10 additions & 0 deletions .github/workflows/run.yml
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@slabasan does it work on dynamic systems? Can you add a dynamic system dry run?

Original file line number Diff line number Diff line change
Expand Up @@ -616,3 +616,13 @@ jobs:
--disable-progress-bar \
--disable-logger \
workspace setup --dry-run

- name: Dry run salmon/openmp with allocation modifier on x86
run: |
./bin/benchpark setup salmon/openmp nosite-x86_64 workspace/
. workspace/setup.sh
ramble \
--workspace-dir workspace/salmon/openmp/nosite-x86_64/workspace \
--disable-progress-bar \
--disable-logger \
workspace setup --dry-run
12 changes: 0 additions & 12 deletions legacy/experiments/salmon/openmp/execute_experiment.tpl
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This file was deleted.

8 changes: 3 additions & 5 deletions legacy/experiments/salmon/openmp/ramble.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -65,14 +65,12 @@ ramble:

software:
packages:
default-compiler:
pkg_spec: [email protected]
salmon-tddft:
pkg_spec: [email protected].2
compiler: compiler-fj
pkg_spec: [email protected].0
compiler: compiler-fortran
cmake:
pkg_spec: cmake
compiler: compiler-gcc
compiler: default-compiler
environments:
salmon-tddft:
packages:
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2 changes: 2 additions & 0 deletions legacy/systems/LLNL-Ruby-icelake-OmniPath/software.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,8 @@ software:
pkg_spec: [email protected]
compiler-intel:
pkg_spec: [email protected]
compiler-fortran:
pkg_spec: [email protected]
blas:
pkg_spec: [email protected]
lapack:
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2 changes: 1 addition & 1 deletion legacy/systems/RCCS-Fugaku-Fujitsu-A64FX-TofuD/software.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@ software:
compiler: default-compiler
compiler-clang:
pkg_spec: clang@{default_llvm_version}
compiler-fj:
compiler-fortran:
pkg_spec: fj@{default_fj_version}
compiler-gcc:
pkg_spec: gcc@{default_gnu_version}
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2 changes: 2 additions & 0 deletions legacy/systems/nosite-x86_64/software.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -17,3 +17,5 @@ software:
pkg_spec: blas
lapack:
pkg_spec: lapack
compiler-fortran:
pkg_spec: gcc
4 changes: 2 additions & 2 deletions repo/salmon-tddft/application.py
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Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,8 @@ class SalmonTddft(SpackApplication):

executable('link-restart', 'ln -s -T {restart_data} restart', use_mpi=False)

executable('execute', '-stdin {input_data} ' +
'salmon' , use_mpi=True)
executable('execute', 'salmon ' +
'{input_data}' , use_mpi=True)

input_file('salmon-v2_gs', url='http://salmon-tddft.jp/download/SALMON-v.2.2.0.tar.gz',
md5='d71436df3a1ad507f665abb8453eee15',
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