Posted by Valera on July 12, 2013 at 16:07:26:
In Reply to: Molcas78 - GCC 4.8.1, MVAPICH2 1.9 - compilation error. posted by Piotr Stuglik on July 12, 2013 at 09:50:48:
Hi,
Molcas 7.8 has been released at the time of GCC 4.6.
I would not recommend to use more modern compilers to compile Molcas.
Possible solution:
1. if you don't use qmstat package - uninstall it
molcas uninstall nemo
2. change the reported line to:
BoltzK=1.0d-3*CONST_BOLTZMANN_/CONV_AU_TO_KJ_
(and submit a bug report to GCC - this is indeed on the edge of standard -
after preprocessor expansion of constants in parameter statement - the length of expression is over 72 chars).
Best,
Valera
: Hi,
: I've tried compiling Molcas 7.8 with GCC 4.8.1 and MVAPICH2 1.9 (since all other attempts have failed at 2+ nodes so far).
: I've encountered a bizzare problem during Fortran77 compilation of $MOLCAS/src/qmstat/eqras.f:
: >>
: /usr/local/mpi/gcc_4.8.1/mvapich2-1.9//bin/mpif77 -c -O0 -g -ggdb -fdefault-integer-8 -D_I8_ -DEXT_INT -I. -I../Include -D_GNU_ -D_LINUX_ -D_MOLCAS_MPP_ -D_MOLCAS_ -I../../g/include -I../../src/Include -x f77-cpp-input eqras.f
: eqras.f:19.72:
: Parameter (BoltzK=1.0d-3*(8.3144621d-0/6.02214129d23)/4.35974434d-
: 1
: Error: Missing exponent in real number at (1)
: gmake[2]: *** [eqras.o] Error 1
: gmake[2]: Leaving directory `/home/lajkonik/molcas/new_molcas78-gcc481-mvapich2-pack-mw-debug/src/qmstat'
: gmake[1]: *** [.stamp] Error 2
: gmake[1]: Leaving directory `/home/lajkonik/molcas/new_molcas78-gcc481-mvapich2-pack-mw-debug/src/qmstat'
: make: *** [qmstat] Error 2
: <<
: As you can see, compiler thinks that the exponent is missing. Sure, it is missing, but it is in the line right below - for some odd, unforeseen reason. Is it possible to fix it somehow? The values are written as variables in the Fortran file and I wasn't able to fid out where they are stored at.
: Thanks in advance.
: Regards,
: Piotr