My Community

Hi,

Below is my error information.

"RSPHER: internal ERROR: 25 -37 4 -37"


"
Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
"

"
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun noticed that process rank 13 with PID 272948 on node exp-1-19 exited on signal 11 (Segmentation fault).
"
Thanks,
Guangsheng

Hi,

Please, upload a zip file that contains the input files and OUTCAR. Provide us also the information about the compiler and the setting of the parallel calculation.

The VASP is compiled by the technician of XSEDE, I don't know the setting exactly.

Hi,

I thought the vasp complied by
gcc/9.2.0
openmpi/3.1.6.

Attached file including the input files, and job script.

We would need also the POSCAR file to try ourself.

attached is my structure.

Hi,

I could reproduce the problem. It could be due to a bad initial structure for starting the MD. The suggestion is to get a more reasonable starting geometry for the MD by performing a (partial) geometry relaxation (no MD but just a standard relaxation) of your system consisting of let's say at least 5-10 steps. Then, use the CONTCAR file as POSCAR for starting the MD. Let's see if this help.