[Wien] problem with joint program

2012-07-03 Thread soumyajyoti haldar
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[Wien] a question about the atomic coordinates in file of case.outputs

2012-07-03 Thread Zhou Bing
in advance! Best wishes, Bing -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120703/f3fca9ca/attachment.htm

[Wien] Segfault in lapw1_mpi (SL_INIT)

2012-07-03 Thread Elias Assmann
Hello, When I execute lapw1_mpi, it dies on me immediately: $ ./lapw1_mpi w2k_dispatch_signal(): received: Segmentation fault Child id 0 SIGSEGV, contact developers --

[Wien] Segfault in lapw1_mpi (SL_INIT)

2012-07-03 Thread Laurence Marks
This is an issue with your openmpi, either a simple one or a nasty one. Suggestions: a. Check that you are using libmkl_blacs_openmpi_lp64 or similar, the blacs_openmpi is what matters. This is probably the reaons and just changing this will fix everything. b. Run ompi_info which is in the

[Wien] Segfault in lapw1_mpi (SL_INIT)

2012-07-03 Thread mbraga
On 03.07.2012 14:10, Laurence Marks wrote: This is an issue with your openmpi, either a simple one or a nasty one. Suggestions: a. Check that you are using libmkl_blacs_openmpi_lp64 or similar, the blacs_openmpi is what matters. This is probably the reaons and just changing this will fix

[Wien] Segfault in lapw1_mpi (SL_INIT)

2012-07-03 Thread Laurence Marks
Good. Be aware that openmpi does not pass environmental parameters unless you force it to, so you may need to include these in the mpirun call. There can also be some other subtle issues, and some of the utilities in SRC_mpiutil (unsupported goodies) may help. On Tue, Jul 3, 2012 at 8:41 AM,