[Wien] commlib error

Imran Khan imrankhanswati80 at gmail.com
Fri Jul 10 10:04:45 CEST 2015


Dear wien2k experts and users,
I am using wien2k version 14.2 on a queuing system (SGE), with intel
compiler 11.1, MPI libraries mpi/openmpi-1.6.3 and math libraries
fftw-3.3.4. With these options I install Wien2K without any compile time
error.
The purpose of my calculation is to find the stable site for different
substituents in NdFeB intermetallics.
I am running the case.struct given in the attachment, using 200 (6 6 4)
k-points. My RKmax value is 7 and Gmax is 12, and I am using LDA+U method.
I am using the following command  runsp_lapw -p -orb -i 80 -ec 0.0001 -cc
0.001
Every time I submit my job after few scf cycles the job is terminated with
the following error in the error tag file.

error: commlib error: got select error (Connection reset by peer)
error: executing task of job 2424636 failed: failed sending task to
execd at tachyon1478: can't find connection
    .
    .
    .
 LAPW2 END
 LAPW2 END
 LAPW2 END
 LAPW2 END
real    0m53.638s
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 21, file
/home01/x1030imr/khan/Wien2K/Neomagnet/Pr-doped/f-site/AFM/Pr-Af/Pr-Af.scf2up_31
Image              PC                Routine            Line        Source
sumpara            00000000004A671D  Unknown               Unknown  Unknown
sumpara            00000000004A5225  Unknown               Unknown  Unknown
sumpara            0000000000456259  Unknown               Unknown  Unknown
sumpara            0000000000416A5A  Unknown               Unknown  Unknown
sumpara            0000000000416250  Unknown               Unknown  Unknown
sumpara            0000000000421E3D  Unknown               Unknown  Unknown
sumpara            0000000000410771  scfsum_                   126  scfsum.f
sumpara            000000000040EE82  MAIN__                    219
 sumpara.f
sumpara            00000000004033DC  Unknown               Unknown  Unknown
libc.so.6          00000035AA81D974  Unknown               Unknown  Unknown
sumpara            00000000004032E9  Unknown               Unknown  Unknown
cp: cannot stat `.in.tmp': No such file or directory

I have discussed this error with the engineers of that queuing system
(tachyon), and I have searched the mailing list as well but could not find
any solutions.
your guidance to solve this issue will be greatly appreciated.
Best regards
Imran.
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