[Pw_forum] How to solve this problem

Chaohao Hu chaohao2002 at 163.com
Wed Sep 7 12:15:35 CEST 2005


Dear Sir,
During my cacluations about TiH2, the SCF calculations is OK,
But when calculating DOS and PDOS, even I modified my makefile many times after reading manul file, some wrong information about segmentation fault described below still appears in my bash
 terminal. My system is Redhat Linux9.0, the complier is intel-fortran8.1 and numerical
lib is intel-mkl721. In addition, the unit of TiH2 only include three atoms, a primitive cell.
In my previous calculations about other systems, a larger cell is also considered and the program runs very well.
How to solve this problem?

==============================
.......
  running the scf calculation for TiH2... done
  running DOS calculation for TiH2...forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC        Routine            Line        Source
pw.x               084A953B  Unknown               Unknown  Unknown
pw.x               084BC364  Unknown               Unknown  Unknown
pw.x               080613D5  Unknown               Unknown  Unknown
pw.x               08060619  Unknown               Unknown  Unknown
pw.x               0804B2B9  Unknown               Unknown  Unknown
pw.x               0804B048  Unknown               Unknown  Unknown
libc.so.6          42015574  Unknown               Unknown  Unknown
pw.x               0804AF01  Unknown               Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC        Routine            Line        Source
libc.so.6          4207A42B  Unknown               Unknown  Unknown
libc.so.6          4206432C  Unknown               Unknown  Unknown
libc.so.6          4204F18D  Unknown               Unknown  Unknown
pw.x               084A8DF3  Unknown               Unknown  Unknown
pw.x               084A8B33  Unknown               Unknown  Unknown
pw.x               084AA393  Unknown               Unknown  Unknown
pw.x               084A9486  Unknown               Unknown  Unknown
pw.x               084AA998  Unknown               Unknown  Unknown
libpthread.so.0    40060610  Unknown               Unknown  Unknown
pw.x               084BC364  Unknown               Unknown  Unknown
pw.x               080613D5  Unknown               Unknown  Unknown
......
===========================





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