Vasp 6.4.1 installation issue

[krishnakumar_singh1]

Currently we are using Vasp 5.0.We are trying to install 6.4.1.When we are proceeding step 3
make DEPS=1 -jN <target> we are getting the error

make[3]: Leaving directory '/home/vaspusers/vasp.6.4.1/build/std/lib'
make[2]: Leaving directory '/home/vaspusers/vasp.6.4.1/build/std/lib'
rsync -u ../../src/*.F ../../src/*.inc .
make[3]: Entering directory '/home/vaspusers/vasp.6.4.1/build/std/parser'
make[3]: 'libparser.a' is up to date.
make[3]: Leaving directory '/home/vaspusers/vasp.6.4.1/build/std/parser'
make[2]: Leaving directory '/home/vaspusers/vasp.6.4.1/build/std/parser'
make build_info
make[2]: Entering directory '/home/vaspusers/vasp.6.4.1/build/std'
printf " character(len=*), parameter :: cpp_options = '&\n&-DHOST=\"LinuxGNU\" &\n&-DMPI &\n&-DMPI_BLOCK=8000 &\n&-Duse_collective &\n&-DscaLAPACK &\n&-DCACHE_SIZE=4000 &\n&-Davoidalloc &\n&-Dvasp6 &\n&-Duse_bse_te &\n&-Dtbdyn &\n&-Dfock_dblbuf'\n" > build_info.inc
printf " character(len=*), parameter :: link_line = '&\n&mpif90 &\n&-Llib &\n&-ldmy &\n&-Lparser &\n&-lparser &\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack &\n&-L/path/to/your/openblas/installation/lib &\n&-lopenblas &\n&-L/path/to/your/fftw/installation/lib &\n&-lfftw3'\n" >> build_info.inc
printf " character(len=*), parameter :: fc = '&\n&mpif90'\n" >> build_info.inc
printf " character(len=*), parameter :: fcl = '&\n&mpif90'\n" >> build_info.inc
printf " character(len=*), parameter :: fflags = '&\n&-w &\n&-ffpe-summary=none &\n&-march=native &\n&-fallow-argument-mismatch'\n" >> build_info.inc
printf " character(len=*), parameter :: llibs = '&\n&-lstdc++ &\n&-L/path/to/your/scalapack/installation/lib &\n&-lscalapack &\n&-L/path/to/your/openblas/installation/lib &\n&-lopenblas &\n&-L/path/to/your/fftw/installation/lib &\n&-lfftw3'\n" >> build_info.inc
printf " character(len=*), parameter :: incs = '&\n&-I/path/to/your/fftw/installation/include'\n" >> build_info.inc
make[2]: Leaving directory '/home/vaspusers/vasp.6.4.1/build/std'
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_std
make[2]: Entering directory '/home/vaspusers/vasp.6.4.1/build/std'
mpif90 -ffree-form -ffree-line-length-none -w -ffpe-summary=none -march=native -fallow-argument-mismatch -O2 -I/path/to/your/fftw/installation/include -c c2f_interface.f90
mpif90 -ffree-form -ffree-line-length-none -w -ffpe-summary=none -march=native -fallow-argument-mismatch -O2 -I/path/to/your/fftw/installation/include -c nccl2for.f90
gfortran: error: unrecognized command line option ‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
make[2]: *** [makefile:167: nccl2for.o] Error 1
make[2]: *** Waiting for unfinished jobs....
gfortran: error: unrecognized command line option ‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
make[2]: *** [makefile:167: c2f_interface.o] Error 1
make[2]: Leaving directory '/home/vaspusers/vasp.6.4.1/build/std'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:129: all] Error 1
make[1]: Leaving directory '/home/vaspusers/vasp.6.4.1/build/std'
make: *** [makefile:17: std] Error 2


There is no folders created on Bin directory.Bin directory is empty.
vasp_gam
vasp_ncl
vasp_ncp are not created under bin directory

Please guide us to install Vasp 6.4.1 verison.
Thank you.

[jonathan_lahnsteiner2]

Dear krishnakumar_singh1,

It seems you are using an old version of the gnu fortran compiler.
In older compiler versions, before 10 the compiler flag -fallow-argument-mismatch does not exist
yet. You can check the compiler version with

Code: Select all

gfortran --version

We would recommend to update the compiler if it is older than 10.
Nevertheless, if you want to stick to this compiler you have to remove the flag -fallow-argument-mismatch from the makefile.include.
This can be done by commenting out the following line in the makefile.include:

Code: Select all

# For gcc-10 and higher (comment out for older versions)
FFLAGS     += -fallow-argument-mismatch

I hope this is of help.

All the best Jonathan