[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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