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Hi

I have compiled a serial version of vasp.4.28 on a opteron quad running Red Hat Enterprise AS version 4. I am using the Intel compiler (version 9) alongwith goto and fftw3 libraries. I have no problems in the execution of small jobs requiring less than 0.5 GB of RAM but the larger jobs crash out with the error "ZPOTRF failed". The error remains even if I change the algorithm for diagonalization and there is no problem with the input files. They run on other machines.

Is there any work around that someone can suggest?

Thanks

Priya

The problem seems to be with my compilation of GotoBLAS. Has anyone used the latest version of GotoBLAS to compile VASP on a linux machine?

maybe it is helpful to figure out whether it really is the Goto-BLAS by loading a different BLAS (like mkl) and test whether the error persists.

I have no problem when I am use vasp compiled with the BLAS downloaded from netlib.org. Earlier we had built VASP with a pre-compiled version of the goto library. There was no problem then. If anyone has built VASP with the latest version of gotoblas library on a linux/opteron machine, please let me know the options you used.

Thanks

Priya