[molpro-user] 2012.1 build with latest ifort

[Kirk Peterson]

Hi,

has anyone successfully built molpro2012.1 with the latest ifort, i.e., v13.0.1 ?  It seems to compile and link fine, but when running h2o_vdz.test it dies in multi with a segmentation fault:

 ITER. MIC  NCI  NEG     ENERGY(VAR)     ENERGY(PROJ)   ENERGY CHANGE     GRAD(0)  GRAD(ORB)   GRAD(CI)     STEP       TIME


 GLOBAL ERROR fehler on processor   0                                         


I've built a mpp version (ga-mpich2) linked to the mkl library using gcc and g++ with everything else at their default settings.

best,

-Kirk