[Wien] lapw2 in parallel crashed

[Laurence Marks]

N.B., for sumpara

On Fri, Sep 26, 2008 at 2:58 PM, Laurence Marks
<L-marks at northwestern.edu> wrote:
> Add -traceback to your compilation options and run -- it will tell you
> where the code crashed. Then look at the code...
>
> On Fri, Sep 26, 2008 at 2:28 PM, Sergio Yanuen Rodriguez
> <srodriguez at physics.tamu.edu> wrote:
>> 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
>>
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>
>
>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/IUCR_CED
>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/IUCR_CED