Issues installing VASP for the first time

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

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jared_averitt
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Issues installing VASP for the first time

#1 Post by jared_averitt » Mon Dec 12, 2022 7:25 pm

I have been following the directions at https://www.vasp.at/wiki/index.php/Inst ... VASP.6.X.X

I have tried several different ways to install VASP, and I have been looking over the forum here for tips, so I went ahead and show them here:

i think i am stuck on making the makefile

Here are the last steps taken:

make --version : 4.2.1
make veryclean
make DEPS=1 all

output is below:
.
.
.
d.f90 extpot.f90 rpa_high.f90 fftmpiw.f90 fftmpi_map.f90 fftw3d.f90 fft3dlib.f90 main.f90 > .depend
make[2]: Leaving directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std'
make[1]: Leaving directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std'
make -C build/std VERSION=std all
make[1]: Entering directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std'
rsync -ru ../../src/lib .
cp makefile.include lib
make -C lib -j1
make[2]: Entering directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std/lib'
make libdmy.a
make[3]: Entering directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std/lib'
gcc -E -C -w preclib.F >preclib.f90
mpif90 -O1 -ffree-form -ffree-line-length-none -c -o preclib.o preclib.f90
/nas/longleaf/rhel8/apps/anaconda/2021.11/bin/mpif90: line 392: x86_64-conda_cos6-linux-gnu-gfortran: command not found
make[3]: *** [makefile:28: preclib.o] Error 127
make[3]: Leaving directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std/lib'
make[2]: *** [makefile:18: all] Error 2
make[2]: Leaving directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std/lib'
make[1]: *** [makefile:145: lib] Error 2
make[1]: Leaving directory '/nas/longleaf/home/jarkeith/vasp.6.3.2/build/std'
make: *** [makefile:17: std] Error 2
[jarkeith@longleaf-login4 vasp.6.3.2]$


Thank you for all your help!
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ferenc_karsai
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Re: Issues installing VASP for the first time

#2 Post by ferenc_karsai » Fri Dec 16, 2022 8:30 am

The clue is in the following line:
/nas/longleaf/rhel8/apps/anaconda/2021.11/bin/mpif90: line 392: x86_64-conda_cos6-linux-gnu-gfortran: command not found

Your mpi-fortran has a problem.

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