Adjust preprocessor flags in arch files and toolchain

cp2k · Jan 10, 2023 · 876a7e4 · 876a7e4
1 parent bb0794f
commit 876a7e4
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Showing 6 changed files with 6 additions and 9 deletions.
diff --git a/arch/CRAY-XC40-cce.psmp b/arch/CRAY-XC40-cce.psmp
@@ -10,8 +10,6 @@ FC       = ftn
 LD       = ftn
 AR       = ar -r
 DFLAGS   = -D__FFTW3 -D__parallel -D__SCALAPACK -D__FORCE_USE_FAST_MATH
-# CRAY does not provide the mpi_f08 module
-DFLAGS  += -D__NO_MPI_F08
 # DFLAGS  += -D__LIBXSMM
 DFLAGS  += -D__LIBINT -D__MAX_CONTR=4
 DFLAGS  += -D__LIBXC

diff --git a/arch/CRAY-XC40-gnu.psmp b/arch/CRAY-XC40-gnu.psmp
@@ -94,8 +94,6 @@ CFLAGS         := -O2 -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g
 
 DFLAGS         := -D__parallel
 DFLAGS         += -D__SCALAPACK
-# CRAY does not provide the mpi_f08 module
-DFLAGS         += -D__NO_MPI_F08
 DFLAGS         += -D__FFTW3
 DFLAGS         += -D__MAX_CONTR=$(strip $(MAX_CONTR))
 

diff --git a/arch/CRAY-XC40-intel-minimal.psmp b/arch/CRAY-XC40-intel-minimal.psmp
@@ -35,8 +35,6 @@ DFLAGS   += -D__MAX_CONTR=4
 DFLAGS   += -D__MKL
 DFLAGS   += -D__parallel
 DFLAGS   += -D__SCALAPACK
-# CRAY does not provide the mpi_f08 module
-DFLAGS         += -D__NO_MPI_F08
 
 FCFLAGS   = $(CFLAGS) $(DFLAGS)
 FCFLAGS  += -diag-disable=8291

diff --git a/arch/CRAY-XC50-gnu.psmp b/arch/CRAY-XC50-gnu.psmp
@@ -102,8 +102,6 @@ CFLAGS         := -O2 -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g
 
 DFLAGS         := -D__parallel
 DFLAGS         += -D__SCALAPACK
-# CRAY does not provide the mpi_f08 module
-DFLAGS         += -D__NO_MPI_F08
 DFLAGS         += -D__FFTW3
 DFLAGS         += -D__MAX_CONTR=$(strip $(MAX_CONTR))
 

diff --git a/tools/toolchain/scripts/stage1/install_intelmpi.sh b/tools/toolchain/scripts/stage1/install_intelmpi.sh
@@ -89,7 +89,7 @@ export INTELMPI_LIBS="${INTELMPI_LIBS}"
 export MPI_CFLAGS="${INTELMPI_CFLAGS}"
 export MPI_LDFLAGS="${INTELMPI_LDFLAGS}"
 export MPI_LIBS="${INTELMPI_LIBS}"
-export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__parallel|)"
+export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__parallel -D__MPI_F08|)"
 export CP_CFLAGS="\${CP_CFLAGS} IF_MPI(${INTELMPI_CFLAGS}|)"
 export CP_LDFLAGS="\${CP_LDFLAGS} IF_MPI(${INTELMPI_LDFLAGS}|)"
 export CP_LIBS="\${CP_LIBS} IF_MPI(${INTELMPI_LIBS}|)"

diff --git a/tools/toolchain/scripts/stage1/install_openmpi.sh b/tools/toolchain/scripts/stage1/install_openmpi.sh
@@ -152,6 +152,11 @@ export MPI_CFLAGS="${OPENMPI_CFLAGS}"
 export MPI_LDFLAGS="${OPENMPI_LDFLAGS}"
 export MPI_LIBS="${OPENMPI_LIBS}"
 export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__parallel|)"
+# For proper mpi_f08 support, we need at least GCC version 9 (asynchronous keyword)
+# Other compilers should work
+  if ! [ "$(gfortran -dumpversion | cut -d. -f1)" -lt 9 ]; then
+    export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__MPI_F08|)"
+  fi
 export CP_CFLAGS="\${CP_CFLAGS} IF_MPI(${OPENMPI_CFLAGS}|)"
 export CP_LDFLAGS="\${CP_LDFLAGS} IF_MPI(${OPENMPI_LDFLAGS}|)"
 export CP_LIBS="\${CP_LIBS} IF_MPI(${OPENMPI_LIBS}|)"