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://pwscf.org/pipermail/pw_forum/attachments/20140821/19686c26/attachment.html
