script

#!/bin/bash

#PBS -N graphene

#PBS -l select=1:ncpus=16:mem=8gb:scratch_local=10gb

#PBS -l walltime=1:00:00

#PBS -j oe

module add vasp/6.4.2

hostname

cd $SCRATCHDIR

DATADIR=/auto/vestec1-elixir/home/jemal/try

cp -r $DATADIR/* .

mpirun -np 4 vp

cp -r * $DATADIR && rm -r *

the errors are

Loading vasp/6.4.2

Loading requirement: libaec/1.0.5-gcc-10.2.1-kajfqz6

openjdk/11.0.14.1_1-gcc-10.2.1-2ll77ke libiconv/1.16-gcc-10.2.1-jbvbjyi

python/3.9.12-gcc-10.2.1-rg2lpmk xz/5.2.5-gcc-10.2.1-fteagxc

zlib/1.2.12-gcc-10.2.1-7qmmk4c libxml2/2.9.13-gcc-10.2.1-42uofzw

cuda/11.6.2-gcc-10.2.1-nwpmxyy libpciaccess/0.16-gcc-10.2.1-f4q3srx

ncurses/6.2-gcc-10.2.1-h3werp5 hwloc/2.7.1-gcc-10.2.1-a7ilbqq

libevent/2.1.12-gcc-10.2.1-dqblgi5 numactl/2.0.14-gcc-10.2.1-gasmwpx

opa-psm2/11.2.206-gcc-10.2.1-q4gu6pl pmix/4.1.2-gcc-10.2.1-enmnubp

psm/2017-04-28-gcc-10.2.1-hrczaup libnl/3.3.0-gcc-10.2.1-oa4lipo

rdma-core/39.1-gcc-10.2.1-jamlwco gdrcopy/2.3-gcc-10.2.1-7evvrzi

ucx/1.12.1-gcc-10.2.1-ixjicks openmpi/4.1.3-gcc-10.2.1-5xnoncc

pkgconf/1.8.0-gcc-10.2.1-z64q2h7 hdf5/1.12.2-gcc-10.2.1-gfdwqr3

intel-oneapi-tbb/2021.6.0-gcc-10.2.1-va5rmz4

intel-oneapi-mkl/2022.1.0-gcc-10.2.1-utwwhtj

zia5.cerit-sc.cz

Number of atom types: 1

Multiplicities of these types: C

Total number of atoms: 0

Number of atom types: 1

Multiplicities of these types: C

Total number of atoms: 0

Number of atom types: 1

Multiplicities of these types: C

Total number of atoms: 0

Number of atom types: 1

Multiplicities of these types: C

Total number of atoms: 0

/software/vasp/vasp-utils/vtstscripts/vp[28]: let: natoms=0+C

: arithmetic syntax error