Modifications for Cray build

o Add "integer argc" to benchmarks o Disable testing and example builds in crusher script o Include prg_c_interface conditionally in progress library o Fix lint issues
lanl · Nov 30, 2023 · f85d1d2 · f85d1d2
1 parent 2bb1c93
commit f85d1d2
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Showing 7 changed files with 15 additions and 10 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -36,7 +36,7 @@ add_definitions(-DPROGRESS_VERSION=${PROGRESS_VERSION})
 message(STATUS "Setting PROGRESS_VERSION to '${PROGRESS_VERSION}'")
 
 if(CMAKE_Fortran_COMPILER_ID STREQUAL "Cray")
-  set(EXTRA_FCFLAGS "-ef ${EXTRA_FCFLAGS}")
+	set(EXTRA_FCFLAGS "-ef ${EXTRA_FCFLAGS}")
 else()
   set(EXTRA_FCFLAGS "-ffree-line-length-none ${EXTRA_FCFLAGS}")
 endif()

diff --git a/benchmarks/dmconstruction/dmconstruction.F90 b/benchmarks/dmconstruction/dmconstruction.F90
@@ -27,6 +27,7 @@ program hmodel
   real(dp), allocatable :: eigenvalues(:)
   real(dp) :: ef,sparsity,dec,mlsi,mlsf,bnorm
   character(20) :: bml_dmode
+  integer :: iargc
 
   call prg_initParallel()
 

diff --git a/benchmarks/dmconstruction3d/dmconstruction3d.F90 b/benchmarks/dmconstruction3d/dmconstruction3d.F90
@@ -27,6 +27,7 @@ program hmodel
   real(dp), allocatable :: eigenvalues(:)
   real(dp) :: ef,sparsity,dec,mlsi,mlsf,bnorm
   character(20) :: bml_dmode
+  integer :: iargc
 
   call prg_initParallel()
 

diff --git a/benchmarks/dmconstruction3d/dmconstruction_bio.F90 b/benchmarks/dmconstruction3d/dmconstruction_bio.F90
@@ -39,6 +39,7 @@ program biosolve
   type(tbparams_type)               ::  tb
   real(dp) ::  tol
   real(dp), allocatable :: eigenvalues(:)
+  integer :: iargc
 
   call prg_progress_init()
   myRank = getMyRank() + 1
@@ -90,8 +91,7 @@ program biosolve
 
   if(bioham%mdim == 0) bioham%mdim = norbs
   ! Get occupation based on last shell population.
-  nel = sum(element_numel(syf%atomic_number(:)),&
-       & size(syf%atomic_number,dim=1))
+  nel = sum(element_numel(syf%atomic_number))
   if(myRank == 1)write(*,*)"N electrons = ",nel
   bndfil = nel/(2.0_dp*real(norbs,dp))
   if(myRank == 1)write(*,*)"bndfil = ",bndfil

diff --git a/benchmarks/dmconstruction_graphBased/dmconstruction_graphBased_bio.F90 b/benchmarks/dmconstruction_graphBased/dmconstruction_graphBased_bio.F90
@@ -95,8 +95,7 @@ program gpsolve
 
   if(bioham%mdim == 0) bioham%mdim = norbs
   ! Get occupation based on last shell population.
-  nel = sum(element_numel(syf%atomic_number(:)),&
-       & size(syf%atomic_number,dim=1))
+  nel = sum(element_numel(syf%atomic_number))
   bndfil = nel/(2.0_dp*real(norbs,dp))
 
   call bml_threshold(ham_bml,bioham%threshold)

diff --git a/scripts/build_crusher_rocsparse_cce.sh b/scripts/build_crusher_rocsparse_cce.sh
@@ -15,9 +15,9 @@ export BML_OPENMP=yes
 export PROGRESS_OPENMP=${PROGRESS_OPENMP:=yes}
 export INSTALL_DIR=${INSTALL_DIR:="${MY_PATH}/install"}
 export PROGRESS_GRAPHLIB=${PROGRESS_GRAPHLIB:=no}
-export PROGRESS_TESTING=${PROGRESS_TESTING:=yes}
+export PROGRESS_TESTING=${PROGRESS_TESTING:=no}
 export CMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE:=RelWithDebInfo}
-export PROGRESS_EXAMPLES=${PROGRESS_EXAMPLES:=yes}
+export PROGRESS_EXAMPLES=${PROGRESS_EXAMPLES:=no}
 export PROGRESS_BENCHMARKS=${PROGRESS_BENCHMARKS:=yes}
 export EXTRA_FCFLAGS="-hsystem_alloc"
 export EXTRA_LINK_FLAGS=""

diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
@@ -1,6 +1,6 @@
 include_directories(${BML_INCLUDEDIR})
 
-add_library(progress
+set(PROGRESS_SOURCES 
   # LATTE modules
   ./latte_mods/coulomb_latte_mod.F90
   ./latte_mods/ham_latte_mod.F90
@@ -49,9 +49,13 @@ add_library(progress
   prg_timer_mod.F90
   prg_xlbo_mod.F90
   prg_graphsolver_mod.F90
-  prg_xlbokernel_mod.F90
-  prg_c_interface.F90)
+  prg_xlbokernel_mod.F90)
 
+if(NOT (CMAKE_Fortran_COMPILER_ID STREQUAL "Cray"))
+  set(PROGRESS_SOURCES ${PROGRESS_SOURCES} prg_c_interface.F90)
+endif()
+
+add_library(progress ${PROGRESS_SOURCES})
 
 message(STATUS "debug ${CMAKE_CURRENT_SOURCE_DIR}")
 include_directories(${CMAKE_CURRENT_SOURCE_DIR})