Dear SIESTA users:
When I use 24 cores to run the TranSIESTA calculation using trunk 428, I got
the error like this:
/var/spool/slurmd/job1321828/slurm_script: line 12: 19218 Bus error mpirun
transiesta < trans-0.0.fdf > trans-0.0.log
And I also find the following message in trans-0.0.log:
Creating Green's function file for: left
WARNING: alloc-realloc-dealloc name mismatch
Name: elec_HS unknown
Size: -588. Bytes
Node: 0
Subsequent mismatches will not be reported
The system of the HPC is Ubuntu. And in the compiliation, Ifort(10.1.012),
MKL(10.0.2.018), OpenMPI(1.4.5) are used.
Can anyone figure out what is the problem?
Guangping Zhang
2013-10-10
