No Species found error while running Example files
Summary: While running the sample files in Examples directory, 'No species found ' message is shown. The psf file was copied from the /Examples/Vps/ directory. Fdf file used was from the /Examples directory itself. (/Fe).Did try for H2O and MgO too. The arch.make file couldn't be provided as siesta was build using spack.
Code version: Siesta 4.0.2
System information:
OS: RHEL 8.9 , Architecture : aarch64 , gcc 8.5.0 , Dependency list: fujitsu-mpi, fujitsu-ssl2, netcdf-c@4.9.0, gnuconfig@2021-08-14, hdf5@1.12.2, cmake@3.24.3, curl@7.61.1, expat@2.4.8, libbsd@0.11.5, libmd@1.0.4, libarchive@3.5.2, bzip2@1.0.6, libiconv@1.16, lz4@1.8.3, lzo@2.10, mbedtls@2.28.0, xz@5.2.4, libuv@1.46.0, ncurses@6.1, rhash@1.4.2, pkgconf@1.4.2, m4@1.4.18, zlib@1.2.11, zstd@1.5.5, netcdf-fortran@4.6.0,
Steps to reproduce:
The input fdf files used where from the /Examples/ directory and the psf files where from /Examples/Vps directory. Running
mpiexec -np 2 ./siesta < Fe.fdf
will reproduce the issue
Expected behavior
while running siesta with the an example file in /Examples directory, say /Fe , the output file says "No Species Found" instead of output.
Relevant logs and/or screenshots
Possible fixes