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Update arch file for the Intel regression tests
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mkrack committed Jul 30, 2021
1 parent 6ddea4f commit a1d9c92
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions arch/Linux-x86-64-intel-regtest.psmp
Original file line number Diff line number Diff line change
@@ -1,7 +1,8 @@
# Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.1.217 Build 20200306
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.3.304 Build 20200925
# Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.1 Build 20201112
# Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.5, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.6.2, SPGLIB 1.16.0,
# Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.3.0 Build 20210609_000000
# Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.5, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.7.2, SPGLIB 1.16.0,
# LIBVORI 210412, SIRIUS 7.2.5
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)

Expand All @@ -10,7 +11,7 @@ FC = mpiifort
LD = mpiifort
AR = ar -r

include $(MPI_PATH)/plumed2/2.6.2/lib/plumed/src/lib/Plumed.inc.static
include $(MPI_PATH)/plumed2/2.7.2/lib/plumed/src/lib/Plumed.inc.static

ELPA_VER = 2021.05.001
ELPA_INC = $(MPI_PATH)/elpa/$(ELPA_VER)/include/elpa_openmp-$(ELPA_VER)
Expand All @@ -33,7 +34,6 @@ SIRIUS_LIB = $(INTEL_PATH)/sirius/7.2.5/lib
SPGLIB_INC = $(INTEL_PATH)/spglib/1.16.0/include
SPGLIB_LIB = $(INTEL_PATH)/spglib/1.16.0/lib

# Only one test input (CH4-rsLDA.inp) gives wrong results with inlining enabled
CFLAGS = -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost

DFLAGS = -D__ELPA
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