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Move to ELPA 2019.05.001

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mkrack committed Aug 6, 2019
1 parent 918ccc2 commit dbc49d16f8bab2ff0690c1b273e0469d47afa991
Showing with 4 additions and 5 deletions.
  1. +4 −5 arch/Linux-x86-64-gfortran-regtest.psmp
@@ -1,12 +1,12 @@
# Tested with: GFortran 7.4.0, MPICH 3.3, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 2.5.0, Libxc 4.3.4, ELPA 2017.05.003, PLUMED 2.5.2
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2019)
# Tested with: GFortran 7.4.0, MPICH 3.3, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 2.5.0, Libxc 4.3.4, ELPA 2019.05.001, PLUMED 2.5.2
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, August 2019)
CC = mpicc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
include $(MPI_PATH)/plumed/2.5.2/lib/plumed/src/lib/Plumed.inc.static
ELPA_VER = 2017.05.003
ELPA_VER = 2019.05.001
ELPA_INC = $(MPI_PATH)/elpa/$(ELPA_VER)-openmp/include/elpa_openmp-$(ELPA_VER)
ELPA_LIB = $(MPI_PATH)/elpa/$(ELPA_VER)-openmp/lib
FFTW_INC = $(GNU_PATH)/fftw/3.3-regtest/include
@@ -15,7 +15,7 @@ LIBINT_INC = $(GNU_PATH)/libint/2.5.0-lmax-4-regtest/include
LIBINT_LIB = $(GNU_PATH)/libint/2.5.0-lmax-4-regtest/lib
LIBXC_INC = $(GNU_PATH)/libxc/4.3.4-regtest/include
LIBXC_LIB = $(GNU_PATH)/libxc/4.3.4-regtest/lib
DFLAGS = -D__ELPA=201705 -D__FFTW3 -D__LIBINT -D__LIBXC \
DFLAGS = -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC \
-D__MPI_VERSION=3 -D__PLUMED2 \
-D__parallel -D__SCALAPACK -D__CHECK_DIAG
CFLAGS = -fopenmp -g -march=native
@@ -41,4 +41,3 @@ LIBS = $(PLUMED_DEPENDENCIES) -ldl -lgsl -lgslcblas -lz \
$(MPI_LIBRARY_PATH)/libscalapack-regtest.a \
$(LIBPATH)/liblapack-regtest.a \
$(LIBPATH)/libblas-regtest.a

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