[Pw_forum] Can anyone explain my errors in vasp

Rudra rudrabnrj at gmail.com
Thu Jan 11 11:49:36 CET 2007


if u r a registrer vasp user then join vasp forum instead

On 11 Jan 2007 04:00:21 -0000, Sanjeev Kumar Gupta <
sanjeev0302 at rediffmail.com> wrote:
>
>
> Dear Daya,
> This is forum for Quantum-Expresso user. Sorry, for your help, but if you
> search on google for VASP, then you can also find porum for search. It is
> avilable.
> Regards
> s K Gupta
>
> On Thu, 11 Jan 2007 Axel Kohlmeyer wrote :
>
> >daya sagar wrote:
> >>Hi,
> >>
> >>  My name is Dayasagar. I have been using VASP to do abinitio DFT
> >
> >please note, that this is a forum for the quantum espresso package,
> >see http://www.quantum-espresso.org/ (you might want to check it out).
> ;-)
> >
> >>simulations of GaN NWs with 225 eV encut and vacuum = 2.6nm along X and
> Y directions. Can anyone please explain me the following error.
> >>My Run went on till 37th ionic iteration and showed the following error.
>
> >>-------------------------------------------------------------------------------------------------------------------
> >>DAV:  35    -0.439193918571E+05    0.19144E+06  -0.24729E+05 19376
> 0.953E+02    0.234E+02
> >>DAV:  36    -0.274732624636E+06  -0.23081E+06  -0.27733E+06 16696
> 0.116E+04    0.196E+02
> >>DAV:  37    -0.972624721307E+05    0.17747E+06  -0.31438E+05 19200
> 0.120E+03    0.255E+02
> >
> >here's the origin of your problem (and it has nothing to do with VASP):
> >
> >>forrtl: Permission denied
> >>getRegFromUnwindContext: Can't get Gr0 from UnwindContext, using 0
> >>forrtl: severe (9): permission to access file denied, unit 8, file
> >
> >well, it looks as it you are either running out disk quota or
> >your write access to your disk has been disabled.
> >
> >axel.
> >
> >
> >>/m/utl0214/daya/gan/nanowires/100-axis/44ga-56n-dia2.0nm
> /vacuum-30/OUTCAR
> >>Image              PC                Routine            Line
> Source
> >>vasp.4.6.26_ipf_m  4000000000727E80  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  4000000000726F90  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  40000000006BB120  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  400000000062DAC0  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  400000000062EA30  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  400000000064CC00  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  4000000000618340  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  40000000004F29B0  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  400000000007CCF0  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  4000000000005DD0  Unknown              Unknown
> Unknown
> >>libc.so.6.1        2000000000DF3430  Unknown              Unknown
> Unknown
> >>vasp.4.6.26_ipf_m  40000000000057C0  Unknown              Unknown
> Unknown
> >>FATAL ERROR on MPI node 4 (ipf232): GM send to MPI node 0 (ipf235
> [00:60:dd:48:cb:55]) failed: status 17 (target port was closed) the peer
> process has not started, has exited or is dead
> >>Small/Ctrl message completion error!
> >>mpiexec: Warning: accept_abort_conn: MPI_Abort from IP 10.16.1.84,
> killing all.
> >>mpiexec: killall: caught signal 15 (Terminated).
> >>mpiexec: kill_tasks: killing all tasks.
> >>wait_tasks: waiting for ipf235 ipf235 ipf234 ipf234 ipf232 ipf232 ipf231
> ipf231
> >>FATAL ERROR on MPI node 2 (ipf234): GM send to MPI node 0 (ipf235
> [00:60:dd:48:cb:55]) failed: status 17 (target port was closed) the peer
> process has not started, has exited or is dead
> >>Small/Ctrl message completion error!
> >>mpiexec: process_kill_event: evt 18 task 0 on ipf235.
> >>mpiexec: process_kill_event: evt 19 task 1 on ipf235.
> >>mpiexec: process_kill_event: evt 20 task 2 on ipf234.
> >>mpiexec: process_kill_event: evt 24 task 6 on ipf231.
> >>mpiexec: process_kill_event: evt 25 task 7 on ipf231.
> >>mpiexec: process_kill_event: evt 21 task 3 on ipf234.
> >>mpiexec: process_obit_event: evt 14 task 6 on ipf231 stat 265.
> >>mpiexec: process_obit_event: evt 16 task 7 on ipf231 stat 265.
> >>mpiexec: process_kill_event: evt 22 task 4 on ipf232.
> >>mpiexec: process_kill_event: evt 23 task 5 on ipf232.
> >>wait_tasks: waiting for ipf235 ipf235 ipf234 ipf234 ipf232 ipf232
> >>mpiexec: process_obit_event: evt 12 task 4 on ipf232 stat 255.
> >>mpiexec: process_obit_event: evt 17 task 5 on ipf232 stat 265.
> >>mpiexec: process_obit_event: evt 13 task 2 on ipf234 stat 265.
> >>mpiexec: process_obit_event: evt 15 task 3 on ipf234 stat 265.
> >>wait_tasks: waiting for ipf235 ipf235
>
> >>--------------------------------------------------------------------------------------------------------------------
> >>
> >>Thanks.
> >>
> >>Regards,
> >>Daya
> >>
> >>
> >>Send free SMS to your Friends on Mobile from your Yahoo! Messenger.
> Download Now! http://messenger.yahoo.com/download.php
> >>
> >
> >--
> =======================================================================
> >Axel Kohlmeyer  akohlmey at cmm.chem.upenn.edu  http://www.cmm.upenn.edu
> >  Center for Molecular Modeling  --  University of Pennsylvania
> >Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> >tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
> >=======================================================================
> >If you make something idiot-proof, the universe creates a better idiot.
> >_______________________________________________
> >Pw_forum mailing list
> >Pw_forum at pwscf.org
> >http://www.democritos.it/mailman/listinfo/pw_forum
>
> ====================================================
> Sanjeev Kumar Gupta
> Junior Research Fellow (DAE-BRNS)
> Computational Condensed Matter Physics Lab.(CCMP)
> Department of Physics, Faculty of Science,
> The M.S.University of Baroda, Vadodara - 390 002.
> Ph.No: +91-265-279 5339 (O) extn: 30-25
> mobile:09374616019
> Email: sanjeev0302 at rediffmail.com
>       sanjeev0302 at yahoo.co.in
>       skgupta-phy at msubaroda.ac.in
> ====================================================
>
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>
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>
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-- 
rudra
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----------
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have a nice time
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