VASP with GCC/gfortran on Linux AlphaServer

[lahaye]

A few messages back I was struggling with the compilation of VASP
on a Linux AlphaServer system. Finally I succeeded. To prevent others
from reinventing the whieel, just for the record, this is what I needed:

Use an up-to-date version of GCC (4.1.1 or newer).
In the Makefiles, use:

Code: Select all

FC=gfortran
CPP_ =  [...] | cpp -P -C -traditional-cpp >$*.f
FFLAGS = -O -mfp-trap-mode=su -ffree-form

Alternatively, you can use "-mieee" instead of "-mfp-trap-mode=su".

The "-m" flag prevents a runtime underflow SIGSEGV.
Hence, all supporting libraries (BLAS, LAPACK etc.) should be
compiled with the same "-m" flag (either the fp-trap-mode or
ieee), otherwise the executable will SIGSEGV when calling a
library routine.

Rob.

[support_vasp]

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP