. .profile
In this way, .profile will be used by sh, ksh, and bash. The default language level is 90 (-f90), but if a valid 90 compiler is not found, pgf77 or g77 are used as appropriate. Note that Fortran 90 constructs will be used in future versions of Molpro, so it is recommended that the pgf90 compiler is obtained.
There is apparently a bug in the Portland compiler version 3.1-2 when used with a glibc2.1 linux system (e.g. SuSE 6.2 or Redhat 6.1), such that with Molpro's default compiler options, all programs, including those in the very first stage of configure, hang. The fix is to set environment variable OPENMP to 0 before configuration; the unfortunate side-effect is that OpenMP parallelism is disabled. Should you encounter such a hang, set OPENMP=0, then do "make veryclean" in the MOLPRO root directory, and start from scratch with configure. Note that OPENMP=0 might not help unless you do "make veryclean"!
It is strongly recommended on Intel linux systems to use an optimized blas
library, particularly if using the g77 compiler. A suitable library
can be obtained from
http://www.cs.utk.edu/~ghenry/distrib/.
cstart unix-i8 .and. unix-r10000 backspace inpf3 cend
P.J. Knowles and H.-J. Werner