Hi, I have installed (in a cluster) Siesta 2.0 which runs successfully in parallel mode (it was checked for several systems).
Now I want to take up again a problem that I have studied in the past with Siesta 1.3 in serial mode. I am trying to run the same problem now with Siesta2.0 but it does not run OK in parallel mode but only in serial one. Do I have to change anything in the pseudos & basis generated within Siesta 1.3 in serial mode, so as they work OK with Siesta2.0 in parallel? The message error is at the end of my message. I also send attached the fdf file. Thanks in advance, 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
GaN.fdf
Description: application/vnd.fdf
