? 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 ==================================================== Residential Address- Dr. Vikram Sarabhai Hall, Room No.-95, Boys' Hostel,M.S.University Campus, Pratapgunj,Vadodara-390 002,Gujarat,INDIA -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070111/5f246dd1/attachment.htm
