Hi, I have a system (GaN bulk) that was successfully run in a serial version of Siesta_1.3. I upgraded to Siesta2.0 and run the same system (with the same input files). It runs fine in serial mode but not in parallel. The error message is attached at the end of the email.
It is important to note that I positively know that Siesta2.0 runs OK in parallel in the same cluster (working from scratch with Siesta2.0). In the former case (GaN bulk) the pseudos and basis were generated with the serial version of Siesta 1.3 while the case running OK has pseudos and basis generated with Siesta2.0 Is it possible that some incompatibility between the input files (pseudos, basis) generated with Siesta 1.3 and the parallel version of Siesta 2.0 is causing the problem? Any advice is welcome! Andrea ----------------------------------------------------------------------------- Error Message: forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source siesta 000000000045CAF2 Unknown Unknown Unknown siesta 0000000000448ACE Unknown Unknown Unknown siesta 000000000056515D Unknown Unknown Unknown siesta 0000000000410002 Unknown Unknown Unknown libc.so.6 0000003C33C1D8B4 Unknown Unknown Unknown siesta 000000000040FF29 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libmpich.so.1.0 00002B3CEF46D062 Unknown Unknown Unknown libmpich.so.1.0 00002B3CEF44FEFA Unknown Unknown Unknown libmpich.so.1.0 00002B3CEF477CB6 Unknown Unknown Unknown libmpich.so.1.0 00002B3CEF461122 Unknown Unknown Unknown siesta 00000000007E116D Unknown Unknown Unknown siesta 00000000007DF350 Unknown Unknown Unknown siesta 00000000006C451F Unknown Unknown Unknown siesta 00000000006C58D2 Unknown Unknown Unknown siesta 000000000053D425 Unknown Unknown Unknown siesta 000000000045D081 Unknown Unknown Unknown siesta 0000000000448ACE Unknown Unknown Unknown siesta 000000000056515D Unknown Unknown Unknown siesta 0000000000410002 Unknown Unknown Unknown libc.so.6 0000003C33C1D8B4 Unknown Unknown Unknown siesta 000000000040FF29 Unknown Unknown Unknown
