machar and ifort


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Posted by Michal Tarana on June 09, 2007 at 17:40:05:

Hello everybody,
^^^^^^^^^^^^^^^^

The machar subroutine (in the src/util subdir of Molcas62) returns the value for EPS = 1.08420217E-19, when compiled on IA32 machine by the g77 compiler using the -O2 directive, which is default by cfg file. Without this directive on the same machine the returned value is EPS = 2.22044605E-16. On AMD64 only the latter value is returned, does not matter, whether ifort EMT64 or g77 with or without optimisation is used. Is it possible to achieve the precision of order 10e-19 on 64 bit machine also, pleaase? Has anybody some experience?

Thank you in advance.
Michal


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