[Wien] lapw2 parallel crashed
zhang@fhi-berlin.mpg.de
zhang at fhi-berlin.mpg.de
Fri Jan 11 00:27:29 CET 2008
Dear all,
The latest wien2k version (8.1) is compiled successfully in the IBM linux
cluster, which use intel f95i version 9.0 as fortran compiler and cc as C
compiler, and MKL 9.0 libraries.
For small jobs such as bulk systems, it is no problem to use on single
CPUs or k-point parallel on several nodes (2 CPUs on each node). And for
large system, it is only no problem if I run it on a single CPU or on the
2 CPUs parallel in one node. But if the k-point parallel includes more
than 1 nodes, after lapw1 parallel is successfully done, the lapw2 is
crashed with the following information: (example of the k-parallel on 2
nodes, 4 CPUs)
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 - FERMI; weighs written
Segmentation fault
Segmentation fault
LAPW2 END
LAPW2 END
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory
> stop error
For the lapw2 output files, case.scf2_1(2) contains all finished
information, but case.scf2_3(4) only has one line. In the lapw2.error
file, it says,
** testerror: Error in Parallel LAPW2
And in the dayfile, it says,
** LAPW2 crashed!
0.473u 0.412s 0:15.32 5.7% 0+0k 0+0io 0pf+0w
error: command /batch/mfh/yzhang/wien-08-t/lapw2para lapw2.def failed
In the same machine, my old Wien2k version run without any problem. So I
am wondering if there is something wrong in the new version's
lapw2para_lapw?
BTW: I am sure my machines file is correct and use "real" machines' names.
Thanks,
Zhang
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