[Pw_forum] Jobs can't finish with the tag of vdw_corr
廖振成
peter10372 at gmail.com
Thu Aug 21 11:03:19 CEST 2014
Dear PwSCF users and developers,
I want to calculate the interaction between surface and molecule by Van Der
Waals force.
My pseudopotential is USPP and I choose the RRKJ method.
For the type of Van Der Waals, I used the DFT-D.
When I run the job, the job can run a period of time. But when I open the
output file, there is no "JOB DONE" at the bottom. And there also has the
error file,the following words are the part of it.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
. 0000000000ABA22B Unknown Unknown Unknown
. 000000000076F7CF Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libpthread.so.0 0000003A8CE0E9DD Unknown Unknown Unknown
. 0000000000B68CF7 Unknown Unknown Unknown
libpthread.so.0 0000003A8CE0673D Unknown Unknown Unknown
libc.so.6 0000003A8C2D3D1D Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libpthread.so.0 0000003A8CE0E9DD Unknown Unknown Unknown
. 0000000000B68CF7 Unknown Unknown Unknown
libpthread.so.0 0000003A8CE0673D Unknown Unknown Unknown
libc.so.6 0000003A8C2D3D1D Unknown Unknown Unknown
I tried some ways ,but I still can't solve this problem .
Sincerely,
Peter Liao
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140821/19686c26/attachment.html>
More information about the users
mailing list