Update intel arch files

cp2k · Jun 5, 2019 · d0064d5 · d0064d5
1 parent 115cc52
commit d0064d5
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Showing 3 changed files with 12 additions and 14 deletions.
diff --git a/arch/Linux-x86-64-intel-minimal.psmp b/arch/Linux-x86-64-intel-minimal.psmp
@@ -13,9 +13,8 @@ AR          = ar -r
 CPPFLAGS    =
 DFLAGS      = -D__FFTW3 -D__MKL -D__MPI_VERSION=3 \
               -D__parallel -D__SCALAPACK
-CFLAGS      = $(DFLAGS) -O2
-FCFLAGS     = $(DFLAGS) -O2 -xHost
-FCFLAGS    += -fopenmp
+CFLAGS      = $(DFLAGS) -O2 -fopenmp
+FCFLAGS     = $(DFLAGS) -O2 -fopenmp -xHost
 FCFLAGS    += -fpp -fp-model precise -free -funroll-loops
 FCFLAGS    += -g -traceback
 FCFLAGS    += -I${MKLROOT}/include -I${MKLROOT}/include/fftw

diff --git a/arch/Linux-x86-64-intel-regtest.popt b/arch/Linux-x86-64-intel-regtest.popt
@@ -1,10 +1,11 @@
-# Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.3.199 Build 20190206 
-#              Intel MPI, MKL, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.12, ELPA 2018.11.001, PLUMED 2.4.1
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2019)
+# Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 18.0.5.274 Build 20180823
+#              Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.3.199 Build 20190206 
+#              Intel MPI, MKL, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.12, ELPA 2017.05.003, PLUMED 2.4.1
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019)
 
 include      $(MPI_PATH)/plumed/2.4.1/lib/plumed/src/lib/Plumed.inc.static
 
-ELPA_VER    = 2018.11.001
+ELPA_VER    = 2017.05.003
 ELPA_INC    = $(MPI_PATH)/elpa/$(ELPA_VER)/include/elpa-$(ELPA_VER)
 ELPA_LIB    = $(MPI_PATH)/elpa/$(ELPA_VER)/lib
 
@@ -15,20 +16,19 @@ LIBXC_LIB   = $(INTEL_DIR)/libxc/4.3.4/lib
 LIBXSMM_INC = $(INTEL_DIR)/libxsmm/1.12/include
 LIBXSMM_LIB = $(INTEL_DIR)/libxsmm/1.12/lib
 
-CC          = mpicc
+CC          = mpiicc
 CPP         =
 FC          = mpiifort
 LD          = mpiifort
 AR          = ar -r
 CPPFLAGS    =
-DFLAGS      = -D__ELPA=201811 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
+DFLAGS      = -D__ELPA=201705 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
               -D__MKL -D__MPI_VERSION=3 -D__PLUMED2 \
               -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 \
               -D__parallel -D__SCALAPACK -D__CHECK_DIAG
 CFLAGS      = $(DFLAGS) -O2
-FCFLAGS     = $(DFLAGS) -O2
-FCFLAGS    += -fpp -free -funroll-loops
-FCFLAGS    += -fp-model precise
+FCFLAGS     = $(DFLAGS) -O2 -xHost
+FCFLAGS    += -fpp -fp-model precise -free -funroll-loops
 FCFLAGS    += -g -traceback
 FCFLAGS    += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
 FCFLAGS    += -I$(LIBINT_INC)

diff --git a/arch/Linux-x86-64-intel-regtest.psmp b/arch/Linux-x86-64-intel-regtest.psmp
@@ -28,8 +28,7 @@ DFLAGS      = -D__ELPA=201705 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
               -D__parallel -D__SCALAPACK -D__CHECK_DIAG
 CFLAGS      = $(DFLAGS) -O2 -fopenmp
 FCFLAGS     = $(DFLAGS) -O2 -fopenmp -xHost
-FCFLAGS    += -fpp -free -funroll-loops
-FCFLAGS    += -fp-model precise
+FCFLAGS    += -fpp -fp-model precise -free -funroll-loops
 FCFLAGS    += -g -traceback
 FCFLAGS    += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
 FCFLAGS    += -I$(LIBINT_INC)