[Pw_forum] Can anyone explain my errors in vasp

[Axel Kohlmeyer]

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
> 
> 
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-- 
=======================================================================
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.