Hi,

It turned out that the pseudo files had extra unwanted characters that
slipped while managing files. I simply deleted the characters and
everything is working fine now.

Best regards,

Andrea


> 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
>
>
>
>
>


Responder a