Errors with access to INCAR, CHGCAR and WAVECAR files for continuing jobs
Posted: Mon Mar 18, 2013 11:04 pm
Dear VASP developers and users,
While running VASP 5.3.3 compiled with intel-11.1 compiler and MKL 10.3.3 libraries on Blacklight cluster (http://www.psc.edu/index.php/computing- ... blacklight) I've encountered the following type of errors: for continuing jobs the execution of VASP crashes with a diagnosis like
forrtl: Permission denied
vasp.5.3.3 18Dez12 (build Feb 14 2013 11:12:11) complex
forrtl: severe (9): permission to access file denied, unit 18, file /CHGCAR
or
forrtl: Permission denied
forrtl: severe (9): permission to access file denied, unit 12, file /WAVECAR
or even crashes after execution while writing wavefunctions:
DMP: 9 -0.531009749092E+02 -0.93636E-04 -0.26068E-04 7168 0.359E-04 0.766E-04
1 F= -.53100975E+02 E0= -.53100975E+02 d E =0.000000E+00
forrtl: Permission denied
writing wavefunctions
forrtl: severe (9): permission to access file denied, unit 12, file /WAVECAR
This problem persists while using VASP 5.2.11 and 5.2.12 compiled on the same machine with same compiler and libraries. The odd fact is that it shows up not in every job: half of them go through successfully, and half - crash.
The cluster administration, after looking into the problem, gave the following feedback:
"Our view is that a memory bug in VASP is causing it to try to open these files in the root directory, to which, of course, you do not have access. We think the string in memory with the correct filename is being overwritten. To get help with this bug we suggest you contact the VASP user groups ".
That's why I'm asking for help here. Please let me know if you have some tips on how to resolve this issue.
Dmitry Vinichenko
<span class='smallblacktext'>[ Edited ]</span>
While running VASP 5.3.3 compiled with intel-11.1 compiler and MKL 10.3.3 libraries on Blacklight cluster (http://www.psc.edu/index.php/computing- ... blacklight) I've encountered the following type of errors: for continuing jobs the execution of VASP crashes with a diagnosis like
forrtl: Permission denied
vasp.5.3.3 18Dez12 (build Feb 14 2013 11:12:11) complex
forrtl: severe (9): permission to access file denied, unit 18, file /CHGCAR
or
forrtl: Permission denied
forrtl: severe (9): permission to access file denied, unit 12, file /WAVECAR
or even crashes after execution while writing wavefunctions:
DMP: 9 -0.531009749092E+02 -0.93636E-04 -0.26068E-04 7168 0.359E-04 0.766E-04
1 F= -.53100975E+02 E0= -.53100975E+02 d E =0.000000E+00
forrtl: Permission denied
writing wavefunctions
forrtl: severe (9): permission to access file denied, unit 12, file /WAVECAR
This problem persists while using VASP 5.2.11 and 5.2.12 compiled on the same machine with same compiler and libraries. The odd fact is that it shows up not in every job: half of them go through successfully, and half - crash.
The cluster administration, after looking into the problem, gave the following feedback:
"Our view is that a memory bug in VASP is causing it to try to open these files in the root directory, to which, of course, you do not have access. We think the string in memory with the correct filename is being overwritten. To get help with this bug we suggest you contact the VASP user groups ".
That's why I'm asking for help here. Please let me know if you have some tips on how to resolve this issue.
Dmitry Vinichenko
<span class='smallblacktext'>[ Edited ]</span>