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 ...... ===========================
