Update arch file (add COSMA)

cp2k · May 27, 2021 · 646078c · 646078c
1 parent f32b6aa
commit 646078c
Showing 1 changed file with 11 additions and 6 deletions.
diff --git a/arch/Linux-x86-64-gfortran-regtest.psmp b/arch/Linux-x86-64-gfortran-regtest.psmp
@@ -1,6 +1,6 @@
 # Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.1, ScaLAPACK 6819b24, FFTW 3.3.9,
 #              LIBINT 2.6.0, LIBXC 5.1.4, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
-#              LIBVORI 210412, SIRIUS 7.0.2, OpenBLAS 0.3.15
+#              LIBVORI 210412, SIRIUS 7.0.2, OpenBLAS 0.3.15, COSMA 2.5.0
 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
 
 CC          = mpicc
@@ -10,8 +10,8 @@ AR          = ar -r
 
 include       $(MPI_PATH)/plumed2/2.6.2/lib/plumed/src/lib/Plumed.inc.static
 
-#COSMA_INC   = $(GNU_PATH)/COSMA/2.4.0/include
-#COSMA_LIB   = $(GNU_PATH)/COSMA/2.4.0/lib
+COSMA_INC   = $(GNU_PATH)/COSMA/2.5.0/include
+COSMA_LIB   = $(GNU_PATH)/COSMA/2.5.0/lib
 
 ELPA_VER    = 2020.11.001
 ELPA_INC    = $(MPI_PATH)/elpa/$(ELPA_VER)/include/elpa_openmp-$(ELPA_VER)
@@ -36,7 +36,8 @@ SPGLIB_LIB  = $(GNU_PATH)/spglib/1.16.0/lib
 
 CFLAGS      = -O2 -fopenmp -fopenmp-simd -g -march=native -mtune=native
 
-DFLAGS      = -D__ELPA
+DFLAGS      = -D__COSMA
+DFLAGS     += -D__ELPA
 DFLAGS     += -D__FFTW3
 DFLAGS     += -D__GSL
 DFLAGS     += -D__LIBINT
@@ -73,7 +74,7 @@ FCFLAGS    += -ffree-line-length-none
 FCFLAGS    += -fimplicit-none
 FCFLAGS    += -fno-omit-frame-pointer
 FCFLAGS    += -std=f2008
-#FCFLAGS    += -I$(COSMA_INC)
+FCFLAGS    += -I$(COSMA_INC)
 FCFLAGS    += -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules
 FCFLAGS    += -I$(FFTW_INC)
 FCFLAGS    += -I$(LIBINT_INC)
@@ -97,8 +98,12 @@ LIBS       += ${SIRIUS_LIB}/libsirius.a
 LIBS       += $(GNU_PATH)/SpFFT/0.9.13/lib/libspfft.a
 LIBS       += $(GNU_PATH)/SpLA/1.2.1/lib/libspla.a
 LIBS       += $(GNU_PATH)/hdf5/1.12.0/lib/libhdf5.a
+# Only needed for COSMA
+LIBS       += $(COSMA_LIB)/libcosma_prefixed_pxgemm.a
+LIBS       += $(COSMA_LIB)/libcosma.a
+LIBS       += $(COSMA_LIB)/libcosta_prefixed_scalapack.a
+LIBS       += $(COSMA_LIB)/libcosta.a
 #
-#LIBS       += -L$(COSMA_LIB) lcosma_pxgemm -lcosma -lcosta_scalapack -lcosta
 LIBS       += $(MPI_LIBRARY_PATH)/libscalapack.a
 LIBS       += $(LIBPATH)/liblapack.a
 LIBS       += $(GNU_PATH)/OpenBLAS/0.3.15/lib/libopenblas.a