[Wien] lapw2 in parallel crashed

Sergio Yanuen Rodriguez srodriguez at physics.tamu.edu
Fri Sep 26 21:28:41 CEST 2008


Dear Wien2k users:

I am trying to obtain the A_lm, B_lm and C_lm coefficients to get the
wavefunction, I already did the modifications to the file l2main.F, I can
obtain the coefficients if I do a serial calculation but if I do a k point
parallel calculation, the scf cicle runs fine but when I change TOT for
ALM in case.in2c file and run

x lapw2 -c -p

the following error appears:

running LAPW2 in parallel mode
LAPW2 - FERMI; weighs written
[1] 21590
 LAPW2 END
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def
$loop; rm -f .lock_$lockfile[$p] ) >>  ...
[1] 21598
 LAPW2 END
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def
$loop; rm -f .lock_$lockfile[$p] ) >>  ...
[1] 21605
 LAPW2 END
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def
$loop; rm -f .lock_$lockfile[$p] ) >>  ...
[1] 21612
 LAPW2 END
[2] 21619
 LAPW2 END
[2]  - Done                          ( cd $PWD; $t $exe ${def}_${loop}.def
$loop; rm -f .lock_$lockfile[$p] ) >>  ...
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def
$loop; rm -f .lock_$lockfile[$p] ) >>  ...
      dhcp16.physics.tamu.edu 0.345u 0.221s 0:00.80 70.0% 0+0k 0+9064io
0pf+0w
      dhcp16.physics.tamu.edu 0.387u 0.198s 0:00.88 64.7% 0+0k 0+9048io
0pf+0w
      dhcp16.physics.tamu.edu 0.370u 0.191s 0:00.84 66.6% 0+0k 0+9272io
0pf+0w
      dhcp16.physics.tamu.edu 0.379u 0.204s 0:01.07 53.2% 0+0k 0+9104io
0pf+0w
      dhcp16.physics.tamu.edu 0.153u 0.141s 0:00.49 59.1% 0+0k 0+5376io
0pf+0w
   Summary of lapw2para:
   dhcp16.physics.tamu.edu       user=1.634      wallclock=4.08
forrtl: severe (64): input conversion error, unit -5, file Internal
Formatted Read
Image              PC                Routine            Line        Source
sumpara            0000000000488112  Unknown               Unknown  Unknown
sumpara            0000000000487312  Unknown               Unknown  Unknown
sumpara            00000000004484A2  Unknown               Unknown  Unknown
sumpara            0000000000418CDE  Unknown               Unknown  Unknown
sumpara            00000000004182FA  Unknown               Unknown  Unknown
sumpara            0000000000429F01  Unknown               Unknown  Unknown
sumpara            000000000042827C  Unknown               Unknown  Unknown
sumpara            000000000040E5E7  Unknown               Unknown  Unknown
sumpara            0000000000403042  Unknown               Unknown  Unknown
libc.so.6          00000035CF01E074  Unknown               Unknown  Unknown
sumpara            0000000000402F69  Unknown               Unknown  Unknown
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
**  LAPW2 crashed!
1.780u 1.294s 0:10.81 28.3%     0+0k 0+42888io 0pf+0w
error: command   /root/WIEN/lapw2para lapw2.def   failed

Does anyone has an idea of what is wrong?

Thank you

Sergio Y. Rodriguez
Physics Department
Texas A&M University





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