[molpro-user] Problem in Installing MOLPRO version 2012.1.8

Andy May MayAJ1 at cardiff.ac.uk
Wed Mar 26 08:24:57 GMT 2014


The version of gfortran you are using is not good enough to build 
Molpro. The gfortran compilers had too many bugs to build Molpro until 
around version 4.5/4.6, so you will need to install a newer version of 
gfortran or different Fortran compiler.

In addition to this, please let me know the glibc version of the system.

Since you're just starting the build, I would also suggest to build with 
the latest tarball (currently 2012.1.12).

Best wishes,


On 26/03/14 06:30, G Mahesh wrote:
> Dear Molpro Users,
> I'm installing Molpro on our cluster using global arrays and openmpi to
> do that I am using below command
>   ./configure -mpp -auto-ga-openmpi
> it is using default compilers gfortran, gcc and g++. It is going
> smoothly for some time (around a hour) and installing gloabal arrays,
> openmpi and boost fine I guess but, finally it is creating config.errout
> file by printing below lines
> ---------------------
> unable to link with parse object using:
> /usr/bin/gfortran  -fdefault-integer-8 -fdefault-real-8
> -fmax-identifier-length=31 -Waliasing -Wampersand -Wcharacter-truncation
> -Wline-truncation -Wno-tabs -Wnonstd-intrinsics -Wsurprising
> -Wunderflow  -O0  -lpthread
> /soft/debashree/Mahesh/MOLPRO/Version_2012_1.8/Molpro/src/boost-install/lib/libboost_system.a
> /soft/debashree/Mahesh/MOLPRO/Version_2012_1.8/Molpro/src/boost-install/lib/libboost_thread.a
> -lrt -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2 -lstdc++
> Please check the compiler is working, flags are correct and all
> libraries are present
> failed to determine PARSE
> Result so far of configure written to CONFIG.errout
> -------------------------
> I also have attached CONFIG.errout file, could you please look at the
> .errout file and help me to solve the issue
> Thanks
> Mahesh
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