[molpro-user] Installation Molpro 2010.1.22

[Andy May]

Artur,

The problem has occured building MPICH2, you can hopefully see the 
source of the problem in src/mpich2-1.3.3rc1/make.log.

We are now on Molpro 2010.1.23, so I recommend to use this version of 
Molpro (which now uses MPICH2 1.4).

However, I believe the main source of the problem is likely to be 
GCC/Gfortran 4.1.2. Unfortunately, Gfortran had many bugs in it's early 
versions and could not successfully build Molpro (and probably many 
other applications). I think you need at least GCC/Gfortran 4.3, and if 
you are going to the trouble of installing another GCC/Gfortran version 
I would recommend 4.5.

Best wishes,

Andy

On 28/06/11 12:49, Artur Ukleja wrote:
> Dear Molpro team,
>
> I am trying to install Molpro 2010.1.22 on Scientific Linux CERN SLC
> release 5.6 (Boron) machine without success.
>
> The configuration stuck during "make" command (as I guess). I seems that
> compilation has started but failed just after called "make".
>
> I am using the following command to compile:
>
> [arturu at wn2079 Molpro]$ ./configure -batch -gcc -gfortran -mpp
> -auto-ga-tcgmsg-mpich2 -instroot /vosoft/plgrid/molpro/molpro2010.1.22
> -noblas -nolapack
>
>
> just after I got following result:
>
> [arturu at wn2079 Molpro]$ ./configure -batch -gcc -gfortran -mpp
> -auto-ga-tcgmsg-mpich2 -instroot /vosoft/plgrid/molpro/molpro2010.1.22
> -noblas -nolapack
>
> machine type recognized as x86_64 (Generic 64-bit)
> kernel recognized as Linux
>
> user request compiler gfortran
> GNU Fortran Compiler, Version 4.1.2
> FC=/usr/bin/gfortran
>
> user request compiler gcc
> GNU Compiler Collection, Version 4.1.2
> CC=/usr/bin/gcc
>
> starting auto-build of prerequisites
>
> % Total % Received % Xferd Average Speed Time Time Time Current
> Dload Upload Total Spent Left Speed
> 100 18.6M 100 18.6M 0 0 3584k 0 0:00:05 0:00:05 --:--:-- 4199k
>
> building MPICH2 version 1.3.3rc1, each step could take a few minutes
>
> ./configure --prefix=/vosoft/plgrid/molpro/Molpro/src/mpich2-install
> --with-device=ch3:nemesis --with-pm=hydra --enable-f77
> F77=/usr/bin/gfortran --enable-fc FC=/usr/bin/gfortran --enable-cc
> CC=/usr/bin/gcc --enable-cxx CXX=/usr/bin/g++
> make
> failed
>
> Result so far of configure written to CONFIG.errout
> [arturu at wn2079 Molpro]$
>
>
> I also attach CONFIG.errout file to this email. Does anybody have any
> idea how to fix it?
> Thank you in advance for any suggestions,
> Artur Ukleja
>
>
>
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