<P>
<BR>
Dear Daya,<BR>
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.<BR>
Regards<BR>
s K Gupta<BR>
<BR>
On Thu, 11 Jan 2007 Axel Kohlmeyer wrote :<BR>
>daya sagar wrote:<BR>
>>Hi,<BR>
>><BR>
>> My name is Dayasagar. I have been using VASP to do abinitio DFT<BR>
><BR>
>please note, that this is a forum for the quantum espresso package,<BR>
>see http://www.quantum-espresso.org/ (you might want to check it out). ;-)<BR>
><BR>
>>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.<BR>
>>My Run went on till 37th ionic iteration and showed the following error.<BR>
>>-------------------------------------------------------------------------------------------------------------------<BR>
>>DAV: 35 -0.439193918571E+05 0.19144E+06 -0.24729E+05 19376 0.953E+02 0.234E+02<BR>
>>DAV: 36 -0.274732624636E+06 -0.23081E+06 -0.27733E+06 16696 0.116E+04 0.196E+02<BR>
>>DAV: 37 -0.972624721307E+05 0.17747E+06 -0.31438E+05 19200 0.120E+03 0.255E+02<BR>
><BR>
>here's the origin of your problem (and it has nothing to do with VASP):<BR>
><BR>
>>forrtl: Permission denied<BR>
>>getRegFromUnwindContext: Can't get Gr0 from UnwindContext, using 0<BR>
>>forrtl: severe (9): permission to access file denied, unit 8, file<BR>
><BR>
>well, it looks as it you are either running out disk quota or<BR>
>your write access to your disk has been disabled.<BR>
><BR>
>axel.<BR>
><BR>
><BR>
>>/m/utl0214/daya/gan/nanowires/100-axis/44ga-56n-dia2.0nm/vacuum-30/OUTCAR<BR>
>>Image PC Routine Line Source<BR>
>>vasp.4.6.26_ipf_m 4000000000727E80 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 4000000000726F90 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 40000000006BB120 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 400000000062DAC0 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 400000000062EA30 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 400000000064CC00 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 4000000000618340 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 40000000004F29B0 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 400000000007CCF0 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 4000000000005DD0 Unknown Unknown Unknown<BR>
>>libc.so.6.1 2000000000DF3430 Unknown Unknown Unknown<BR>
>>vasp.4.6.26_ipf_m 40000000000057C0 Unknown Unknown Unknown<BR>
>>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<BR>
>>Small/Ctrl message completion error!<BR>
>>mpiexec: Warning: accept_abort_conn: MPI_Abort from IP 10.16.1.84, killing all.<BR>
>>mpiexec: killall: caught signal 15 (Terminated).<BR>
>>mpiexec: kill_tasks: killing all tasks.<BR>
>>wait_tasks: waiting for ipf235 ipf235 ipf234 ipf234 ipf232 ipf232 ipf231 ipf231<BR>
>>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<BR>
>>Small/Ctrl message completion error!<BR>
>>mpiexec: process_kill_event: evt 18 task 0 on ipf235.<BR>
>>mpiexec: process_kill_event: evt 19 task 1 on ipf235.<BR>
>>mpiexec: process_kill_event: evt 20 task 2 on ipf234.<BR>
>>mpiexec: process_kill_event: evt 24 task 6 on ipf231.<BR>
>>mpiexec: process_kill_event: evt 25 task 7 on ipf231.<BR>
>>mpiexec: process_kill_event: evt 21 task 3 on ipf234.<BR>
>>mpiexec: process_obit_event: evt 14 task 6 on ipf231 stat 265.<BR>
>>mpiexec: process_obit_event: evt 16 task 7 on ipf231 stat 265.<BR>
>>mpiexec: process_kill_event: evt 22 task 4 on ipf232.<BR>
>>mpiexec: process_kill_event: evt 23 task 5 on ipf232.<BR>
>>wait_tasks: waiting for ipf235 ipf235 ipf234 ipf234 ipf232 ipf232<BR>
>>mpiexec: process_obit_event: evt 12 task 4 on ipf232 stat 255.<BR>
>>mpiexec: process_obit_event: evt 17 task 5 on ipf232 stat 265.<BR>
>>mpiexec: process_obit_event: evt 13 task 2 on ipf234 stat 265.<BR>
>>mpiexec: process_obit_event: evt 15 task 3 on ipf234 stat 265.<BR>
>>wait_tasks: waiting for ipf235 ipf235<BR>
>>--------------------------------------------------------------------------------------------------------------------<BR>
>><BR>
>>Thanks.<BR>
>><BR>
>>Regards,<BR>
>>Daya<BR>
>><BR>
>><BR>
>>Send free SMS to your Friends on Mobile from your Yahoo! Messenger. Download Now! http://messenger.yahoo.com/download.php<BR>
>><BR>
><BR>
>-- =======================================================================<BR>
>Axel Kohlmeyer akohlmey@cmm.chem.upenn.edu http://www.cmm.upenn.edu<BR>
> Center for Molecular Modeling -- University of Pennsylvania<BR>
>Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323<BR>
>tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425<BR>
>=======================================================================<BR>
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Sanjeev Kumar Gupta
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