Dear SIESTA users,
could you please help me to resolve the problem with parallel run.
It works fine with Diag.ParallelOverK .true.
But in default mode (paralell over orbitals) I have errors.
The test system is very small, just slab of 8 Si atoms.
Regards,
Ruslan
The errors are as following:
Siesta Version: siesta-2.0.1
Architecture : x86_64-unknown-linux-gnu--Intel
Compiler flags: /mnt/storage/home/siesta/siesta-2.0.1/mpif90_siesta -g
PARALLEL version
* Running on 32 nodes in parallel
>> Start of run: 19-FEB-2009 0:12:48
... some info, then:
* Maximum dynamic memory allocated = 1 MB
siesta: ==============================
Begin MD step = 1
==============================
superc: Internal auxiliary supercell: 3 x 6 x 1 = 18
superc: Number of atoms, orbitals, and projectors: 144 1872 2304
outcell: Unit cell vectors (Ang):
7.663884 0.000000 0.000000
0.000000 3.831942 0.000000
0.000000 0.000000 40.000000
outcell: Cell vector modules (Ang) : 7.663884 3.831942 40.000000
outcell: Cell angles (23,13,12) (deg): 90.0000 90.0000 90.0000
outcell: Cell volume (Ang**3) : 1174.7023
InitMesh: MESH = 72 x 36 x 360 = 933120
InitMesh: Mesh cutoff (required, used) = 200.000 223.865 Ry
* Maximum dynamic memory allocated = 41 MB
rank 21 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 21: return code 13
rank 19 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 19: killed by signal 9
rank 18 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 18: killed by signal 9
rank 17 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 17: killed by signal 9
rank 16 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 16: killed by signal 9
rank 10 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 10: return code 13
rank 9 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 9: return code 13
rank 6 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 6: killed by signal 9
rank 3 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 3: killed by signal 9
rank 2 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 2: return code 13
rank 1 in job 1 cn03_58443 caused collective abort of all ranks
exit status of rank 1: return code 13
