Posted by Valera Veryazov on April 11, 2012 at 20:06:25:
In Reply to: molcas parallel linux64 compilation posted by Nuno A. G. Bandeira on April 11, 2012 at 14:08:52:
Hi Nuno,
Molcas 7.6 is compatible with gfortran 4.4, and 4.5.
We have a policy: we do not support compilers which are released after a release of Molcas.
Gfortran 4.6 introduced several problems for Molcas code. These issues are now resolved, but we do not plan to make to update Molcas 7.6, since the new update - Molcas 7.8 is scheduled for release during this spring.
: At line 76 of file mem_info.f (unit = 6, file = '/tmp/Co.16143/tmp_1/stdout')
if it is not possible to downgrade gfortran (I would recommend it!) -
edit src/parallel_util/start.f, and add
backspace(LuWr)
after line
100 continue
: I have tried to compile a 64 bit version of molcas 7.6 and did so successfully with gcc 4.6.0. However the fdefault-real-8 cards did not go through error free so I had to remove them.
this is another bug/feature of gfortran 4.6 - it can't handle properly dsqrt, and other
intrinsic functions started with d. they should be changed to sqrt, abs, etc.
Again, this is done in Molcas 7.8.
Valera