From 10fef1bdfbe958be58de08b133c4122685181d77 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Sat, 6 Mar 2021 10:53:26 +0100 Subject: [PATCH] Update arch files to LIBXC 5.1.2 --- arch/Linux-x86-64-gfortran-generic.ssmp | 8 ++++---- arch/Linux-x86-64-gfortran-regtest.psmp | 8 ++++---- arch/Linux-x86-64-gfortran.psmp | 8 ++++---- arch/Linux-x86-64-gfortran.ssmp | 8 ++++---- arch/Linux-x86-64-intel-regtest.psmp | 8 ++++---- 5 files changed, 20 insertions(+), 20 deletions(-) diff --git a/arch/Linux-x86-64-gfortran-generic.ssmp b/arch/Linux-x86-64-gfortran-generic.ssmp index 87964267e7..9432f20a05 100644 --- a/arch/Linux-x86-64-gfortran-generic.ssmp +++ b/arch/Linux-x86-64-gfortran-generic.ssmp @@ -1,6 +1,6 @@ # Tested with: GFortran 8.3.0, LAPACK 3.9.0, FFTW 3.3, LIBINT 2.6.0, -# LIBXC 5.1.0, SPGLIB 1.16.0, LIBVORI 201229 -# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021) +# LIBXC 5.1.2, SPGLIB 1.16.0, LIBVORI 201229 +# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021) CC = gcc FC = gfortran @@ -15,8 +15,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-4-generic/lib LIBVORI_LIB = $(GNU_PATH)/libvori/201229-generic/lib -LIBXC_INC = $(GNU_PATH)/libxc/5.1.0-generic/include -LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0-generic/lib +LIBXC_INC = $(GNU_PATH)/libxc/5.1.2-generic/include +LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2-generic/lib SPGLIB_INC = $(GNU_PATH)/spglib/1.16.0-generic/include SPGLIB_LIB = $(GNU_PATH)/spglib/1.16.0-generic/lib diff --git a/arch/Linux-x86-64-gfortran-regtest.psmp b/arch/Linux-x86-64-gfortran-regtest.psmp index 6c3f24df93..769e3084cf 100644 --- a/arch/Linux-x86-64-gfortran-regtest.psmp +++ b/arch/Linux-x86-64-gfortran-regtest.psmp @@ -1,7 +1,7 @@ # Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.0, ScaLAPACK 2.0.2, FFTW 3.3, -# LIBINT 2.6.0, LIBXC 5.1.0, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0, +# LIBINT 2.6.0, LIBXC 5.1.2, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0, # LIBVORI 201229 -# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021) +# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021) CC = mpicc FC = mpif90 @@ -22,8 +22,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-4-regtest/lib LIBVORI_LIB = $(GNU_PATH)/libvori/201229-regtest/lib -LIBXC_INC = $(GNU_PATH)/libxc/5.1.0-regtest/include -LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0-regtest/lib +LIBXC_INC = $(GNU_PATH)/libxc/5.1.2-regtest/include +LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2-regtest/lib SPGLIB_INC = $(GNU_PATH)/spglib/1.16.0-regtest/include SPGLIB_LIB = $(GNU_PATH)/spglib/1.16.0-regtest/lib diff --git a/arch/Linux-x86-64-gfortran.psmp b/arch/Linux-x86-64-gfortran.psmp index e7893886db..0693782c33 100644 --- a/arch/Linux-x86-64-gfortran.psmp +++ b/arch/Linux-x86-64-gfortran.psmp @@ -1,7 +1,7 @@ # Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.0, ScaLAPACK 2.0.2, FFTW 3.3, -# LIBINT 2.6.0, LIBXC 5.1.0, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0, +# LIBINT 2.6.0, LIBXC 5.1.2, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0, # LIBVORI 201229, LIBXSMM 1.16.1 -# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021) +# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021) CC = mpicc FC = mpif90 @@ -22,8 +22,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-6/lib LIBVORI_LIB = $(GNU_PATH)/libvori/201229/lib -LIBXC_INC = $(GNU_PATH)/libxc/5.1.0/include -LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0/lib +LIBXC_INC = $(GNU_PATH)/libxc/5.1.2/include +LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2/lib LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib diff --git a/arch/Linux-x86-64-gfortran.ssmp b/arch/Linux-x86-64-gfortran.ssmp index ceb0717217..cd30b95da6 100644 --- a/arch/Linux-x86-64-gfortran.ssmp +++ b/arch/Linux-x86-64-gfortran.ssmp @@ -1,6 +1,6 @@ # Tested with: GFortran 8.3.0, LAPACK 3.9.0, FFTW 3.3, LIBINT 2.6.0, -# LIBXC 5.1.0, SPGLIB 1.16.0, LIBVORI 201229, LIBXSMM 1.16.1 -# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021) +# LIBXC 5.1.2, SPGLIB 1.16.0, LIBVORI 201229, LIBXSMM 1.16.1 +# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021) CC = gcc FC = gfortran @@ -15,8 +15,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-6/lib LIBVORI_LIB = $(GNU_PATH)/libvori/201229/lib -LIBXC_INC = $(GNU_PATH)/libxc/5.1.0/include -LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0/lib +LIBXC_INC = $(GNU_PATH)/libxc/5.1.2/include +LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2/lib LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib diff --git a/arch/Linux-x86-64-intel-regtest.psmp b/arch/Linux-x86-64-intel-regtest.psmp index b2f83c0e12..72b5ed2677 100644 --- a/arch/Linux-x86-64-intel-regtest.psmp +++ b/arch/Linux-x86-64-intel-regtest.psmp @@ -1,8 +1,8 @@ # 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 19.1.3.304 Build 20200925 -# Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.0, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0, +# Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.2, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0, # LIBVORI 201229 -# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021) +# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021) CC = mpiicc FC = mpiifort @@ -20,8 +20,8 @@ LIBINT_LIB = $(INTEL_PATH)/libint/2.6.0-lmax-4/lib LIBVORI_LIB = $(INTEL_PATH)/libvori/201229/lib -LIBXC_INC = $(INTEL_PATH)/libxc/5.1.0/include -LIBXC_LIB = $(INTEL_PATH)/libxc/5.1.0/lib +LIBXC_INC = $(INTEL_PATH)/libxc/5.1.2/include +LIBXC_LIB = $(INTEL_PATH)/libxc/5.1.2/lib LIBXSMM_INC = $(INTEL_PATH)/libxsmm/1.16.1/include LIBXSMM_LIB = $(INTEL_PATH)/libxsmm/1.16.1/lib