VASP.6.1.2 compilation error
Posted: Thu Nov 26, 2020 10:44 am
Dear users and admins of VASP,
I've trying to find solution for the following problem: I am installing VASP.6.1.2 on the instance of the virtual cluster. I have made the necessary changes to the "makefile.include" file of vasp.6.1.2_patched. To compile VASP, when I execute following command in "~/vasp.6.1.2_patched/":
I got a problem. How can I fix it?
My gfortran and gcc versions are high:
I tried to lower gfortran version 8.3.0 to gfortran version 7.3.0 on the system Centos 7 to solve the VASP.6.1.2 compilation problem. But OpenHPC uses gcc version 8.3.0 and has a number of package dependencies. Now I need to solve the VASP.6.1.2 compilation error. How can I solve it?
Many thanks for your help!
Best regards,
Gohar
I've trying to find solution for the following problem: I am installing VASP.6.1.2 on the instance of the virtual cluster. I have made the necessary changes to the "makefile.include" file of vasp.6.1.2_patched. To compile VASP, when I execute following command in "~/vasp.6.1.2_patched/":
Code: Select all
[root@hpc-master vasp.6.1.2_patched]# make std gam nclCode: Select all
if [ ! -d build/std ] ; then mkdir build/std ; fi; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
make[1]: Entering directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std'
rsync -ru ../../src/lib .
cp makefile.include lib
make -C lib -j1
make[2]: Entering directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/lib'
make libdmy.a
make[3]: Entering directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/lib'
make[3]: `libdmy.a' is up to date.
make[3]: Leaving directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/lib'
make[2]: Leaving directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/lib'
rsync -ru ../../src/parser .
cp makefile.include parser
make -C parser -j1
make[2]: Entering directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/parser'
make libparser.a
make[3]: Entering directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/parser'
make[3]: `libparser.a' is up to date.
make[3]: Leaving directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/parser'
make[2]: Leaving directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std/parser'
rsync -u ../../src/*.F ../../src/*.inc .
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_std
make[2]: Entering directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std'
mpif90 -ffree-form -ffree-line-length-none -w -march=native -O2 -I/opt/ohpc/pub/libs/gnu8/openmpi3/fftw/3.3.8/include -c mgrid_struct.f90
gcc -E -P -C -w wave_struct.F >wave_struct.f90 -DHOST=\"LinuxGNU\" -DMPI -DMPI_BLOCK=8000 -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -Dvasp6 -Duse_bse_te -Dtbdyn -Dfock_dblbuf -DNGZhalf
symbol.inc:580:0:
[b]#pragma GCC error "Compilation of VASP with gfortran is currently supported only up to gfortran version 7 ... sorry"[/b]
Error: Compilation of VASP with gfortran is currently supported only up to gfortran version 7 ... sorry
make[2]: *** [wave_struct.f90] Error 1
make[2]: Leaving directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std'
cp: cannot stat ‘vasp’: No such file or directory
make[1]: *** [all] Error 1
make[1]: Leaving directory `/home/centos/VASP_6.1.2_patched/vasp.6.1.2_patched/build/std'
make: *** [std] Error 2Code: Select all
[root@hpc-master ~]# gfortran --version
[b]GNU Fortran (GCC) 8.3.0[/b]
Copyright (C) 2018 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
[root@hpc-master ~]# gcc --version
[b]gcc (GCC) 8.3.0[/b]
Copyright (C) 2018 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.Many thanks for your help!
Best regards,
Gohar