[molpro-user] Install OK, Tests fail

Jaroslaw Piwonski jpi at numerik.uni-kiel.de
Wed Apr 19 16:13:29 BST 2006


Nick Wilson wrote:
> Dear Jaroslaw,
> 
> You probably need to reduce the optimisation on some of the files.
> 
> Mikael Johansson reported that modifying CONFIG so that the lines which
> says something like:
>  FOPT2="-O3 -xarch=..."
>  FOPT3="-O3"
> to
>  FOPT2="-O2 -xarch=..."
>  FOPT3="-O2"
> worked for him
> 
> You will then need to do:
> gmake veryclean
> gmake
> 
> 
> Best wishes,
> Nick Wilson
> 

Dear Nick,

thanks for Your answer and forgive me for the late reply.

I've tried a lot during the last days including reducing
the optimisation till zero. I even copiled the code as a
32-bit version. But nothing seems to help. I still get
the same values and the same error.
Moreover 'make veryclean' produces an error!

--BEGIN--
euler{abinitio} make veryclean
Cleaning up /tmp/abinitio/molpro2002.6
Cleaning up /tmp/abinitio/molpro2002.6/src
Cleaning up /tmp/abinitio/molpro2002.6/src/util
Cleaning up /tmp/abinitio/molpro2002.6/src/argos
Cleaning up /tmp/abinitio/molpro2002.6/src/ccsd
Cleaning up /tmp/abinitio/molpro2002.6/src/cpp
Cleaning up /tmp/abinitio/molpro2002.6/src/dft
Cleaning up /tmp/abinitio/molpro2002.6/src/fci
Cleaning up /tmp/abinitio/molpro2002.6/src/forces
Cleaning up /tmp/abinitio/molpro2002.6/src/lsint
Cleaning up /tmp/abinitio/molpro2002.6/src/mrci
Cleaning up /tmp/abinitio/molpro2002.6/src/multi
Cleaning up /tmp/abinitio/molpro2002.6/src/opt
Cleaning up /tmp/abinitio/molpro2002.6/src/prop
Cleaning up /tmp/abinitio/molpro2002.6/src/scf
Cleaning up /tmp/abinitio/molpro2002.6/src/semi
Cleaning up /tmp/abinitio/molpro2002.6/src/seward
Cleaning up /tmp/abinitio/molpro2002.6/src/sort
Cleaning up /tmp/abinitio/molpro2002.6/src/direct
Cleaning up /tmp/abinitio/molpro2002.6/src/casvb
Cleaning up /tmp/abinitio/molpro2002.6/src/local
Cleaning up /tmp/abinitio/molpro2002.6/src/lccsd
Cleaning up /tmp/abinitio/molpro2002.6/src/dtraf
Cleaning up /tmp/abinitio/molpro2002.6/src/hessian
Cleaning up /tmp/abinitio/molpro2002.6/src/lx
Cleaning up /tmp/abinitio/molpro2002.6/src/Molcas
Cleaning up /tmp/abinitio/molpro2002.6/src/Slapaf
Cleaning up /tmp/abinitio/molpro2002.6/src/eom
Cleaning up /tmp/abinitio/molpro2002.6/src/cfit
Cleaning up /tmp/abinitio/molpro2002.6/src/dmscf
Cleaning up /tmp/abinitio/molpro2002.6/src/blas
Cleaning up /tmp/abinitio/molpro2002.6/src/dalton
Cleaning up /tmp/abinitio/molpro2002.6/src/basis
Cleaning up /tmp/abinitio/molpro2002.6/src/explicit
Cleaning up /tmp/abinitio/molpro2002.6/src/vscf
Cleaning up /tmp/abinitio/molpro2002.6/src/cosmo
Cleaning up /tmp/abinitio/molpro2002.6/lib
Cleaning up /tmp/abinitio/molpro2002.6/testjobs
Cleaning up /tmp/abinitio/molpro2002.6/bin
Cleaning up /tmp/abinitio/molpro2002.6/utilities
gmake: *** [veryclean] Error 2
euler{abinitio}
--END--

Do You have an other idea? Perhaps some else?

Thanks,
Jaroslaw Piwonski



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