My Community

Ok, I got VASP 4.6.28 to build and run on em64t computers in
scalar mode, no-mpi. Intel 8.1 compilers.

After building VASP with mpich 1.2.8, it gives errors when run.
Other, "simple" mpi apps run fine.

Perhaps someone has seen these errors and can point me
in the right direction.

Thank you,
--marc

------------------------------------------------------------------
[testvasp]# mpirun -v -np 3 -machinefile /users1/testvasp/mach1 /users1/testvasp/vaspmpi

running /users1/testvasp/vaspmpi on 3 LINUX ch_p4 processors
Created /users1/testvasp/PI23699
running on 3 nodes
distr: one band on 1 nodes, 3 groups
vasp.4.6.28 25Jul05 complex
POSCAR found : 1 types and 50 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation

-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| Your FFT grids (NGX,NGY,NGZ) are not sufficient for an accurate |
| calculation. |
| The results might be wrong |
| good settings for NGX NGY and NGZ are |
| 31 31 and 31 |
| Mind: This setting results in a small but reasonable wrap around error |
| It is also necessary to adjust these values to the FFT routines you use|
| |
-----------------------------------------------------------------------------

POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
p1_23767: p4_error: interrupt SIGSEGV: 11
[testvasp]#

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP