Errors during the validation tests.

[dlopezduran]

Dear all,
I have installed VASP 6.3.2 in Ubuntu 22.4
I have changed the fast.conf file to:

---------------------------------------------------
#
# define the commands that run vasp_std, vasp_ncl, and vasp_gam
#
# Default:
#
##export VASP_TESTSUITE_EXE_STD="mpirun -np 4 $PWD/../bin/vasp_std"
##export VASP_TESTSUITE_EXE_NCL="mpirun -np 4 $PWD/../bin/vasp_ncl"
##export VASP_TESTSUITE_EXE_GAM="mpirun -np 4 $PWD/../bin/vasp_gam"
export VASP_TESTSUITE_EXE_STD="mpirun -np 1 --use-hwthread-cpus $PWD/../bin/vasp_std"
export VASP_TESTSUITE_EXE_NCL="mpirun -np 1 --use-hwthread-cpus $PWD/../bin/vasp_ncl"
export VASP_TESTSUITE_EXE_GAM="mpirun -np 1 --use-hwthread-cpus $PWD/../bin/vasp_gam"

#
# Run the tests in the FAST category
#
export VASP_TESTSUITE_RUN_FAST=Y
---------------------------------------------------

However, I am obtaining many errors, some of them are:
---------------------------------------------------
There are not enough slots available in the system to satisfy the 4
slots that were requested by the application:

/media/Datos/VASP_6.3.2/vasp.6.3.2/testsuite/../bin/vasp_gam

Either request fewer slots for your application, or make more slots
available for use.

A "slot" is the Open MPI term for an allocatable unit where we can
launch a process. The number of slots available are defined by the
environment in which Open MPI processes are run:

1. Hostfile, via "slots=N" clauses (N defaults to number of
processor cores if not provided)
2. The --host command line parameter, via a ":N" suffix on the
hostname (N defaults to 1 if not provided)
3. Resource manager (e.g., SLURM, PBS/Torque, LSF, etc.)
4. If none of a hostfile, the --host command line parameter, or an
RM is present, Open MPI defaults to the number of processor cores

In all the above cases, if you want Open MPI to default to the number
of hardware threads instead of the number of processor cores, use the
--use-hwthread-cpus option.

Alternatively, you can use the --oversubscribe option to ignore the
number of available slots when deciding the number of processes to
launch.
---------------------------------------------------
---------------------------------------------------
exiting run_vasp_g

cp: no se puede efectuar `stat' sobre 'OUTCAR': No existe el archivo o el directorio
exiting run_recipe andersen_nve
./runtest: línea 466: OUTCAR: No existe el archivo o el directorio
ERROR: the test yields different results for the energies, please check
---------------------------------------------------
---------------------------------------------------
paste: energy_outcar: No existe el archivo o el directorio
ERROR: compare_numbertable can't find file energy_outcar
./runtest: línea 588: OUTCAR: No existe el archivo o el directorio
ERROR: the test yields different results for the forces, please check
---------------------------------------------------

I've seen that not all directories have (at least) a POTCAR file. Is this fact related with some error?

Any help is appreciated ...
Thank you very much, David.

[martin.schlipf]

Did you also source the configuration file?

Code: Select all

source fast.conf

It looks as if the code still runs on 4 cores and then complains that these cores are unavailable.

[dlopezduran]

Dear Martin,
I didn't try, but I'll do.
Thanks a lot :-)

[dlopezduran]

Dear Martin,
It works! Thanks a lot :-)
David.