[molpro-user] installation problem

[Peter Ruprecht]

In case anyone else has run into these problems, solutions are interspersed
below:

On Thu, 31 Jan 2008, Peter Ruprecht wrote:

> I have just installed Molpro 2006.1 on a 64-bit Opteron system running
> RedHat Enterprise Linux 5.  Building from source seems to have worked
> normally, and I could run
>
>  molpro tuning.com
>  make quicktest
>  make MOLPRO_OPTIONS=-n4 test
>
> just fine.  (We use tcgmsg for parallel runs.)
>
> However, once I do "make install" and try to run molpro, things don't work.
> First, I get a syntax error from the molpro script:
>
> $ molpro blasbench.com
> /usr/local/molpro.2006.1/bin/molpro: line 146: syntax error near unexpected
> token `fi'
> /usr/local/molpro.2006.1/bin/molpro: line 146: `fi'

To fix this, replace each instance of "tail +2" with "tail -n +2" in
the GNUmakefile.  I think that a patch for this is coming soon, if not
already available.

>
> If I remove two seemingly-extraneous "fi's" from the script, then that
> error goes away but instead I see
>
> $ molpro small_blasbench.com
> declare -x ARCH="linux"
>  ...lots more "declare -x" lines...
>   1: interrupt(1)
> WaitAll: No children or error in wait?
>

This was apparently a screwup on my part; my "timing" include file didn't
seem to be right; replacing it with the one from the Molpro source tree
fixed the problem.

 Peter Ruprecht
 JILA / University of Colorado