[molpro-user] Typo in molpro startup script

[Andy May]

Luc,

Thanks for reporting this. I've fixed this in our repository and the 
change will be available in the next patch to Molpro 2010.1.

Many thanks,

Andy

On 16/11/11 13:09, Luc Vereecken wrote:
> Hi all,
>
> When examining the molpro script in the bin directory that starts the
> calculations, I found what seems to be a typo preventing the proper
> parsing of the "--tasks" option.
>
> The relevant section is
> -----------
> while test "x$1" != x ; do
> case $1 in
> --hostfile-format ) shift; HOSTFILE_FORMAT="$1" ;;
> --launcher ) shift; LAUNCHER="$1" ;;
> --nodefile ) shift; nodefile="$1" ;;
> -n | tasks ) shift; nodelist="$1" ;;
> -n* ) nodelist="`echo \"$1\" | sed -e 's/^-n//g'`" ;;
> -N | --task-specification ) shift; NODELIST="$1" ;;
> -t | --omp-num-threads ) shift; OMP_NUM_THREADS="$1" ;;
> --tcgssh ) TCGRSH="`which ssh`" ;;
> -v ) verbose=1; MOLPRO_OPTIONS="$MOLPRO_OPTIONS -v";;
> -x ) shift; exe="$1" ;;
> * ) MOLPRO_OPTIONS="$MOLPRO_OPTIONS $1" ;;
> esac
> shift
> done
> ---------------------
>
> On the sixth line of this section, the parsing of the options looks for
> the "tasks" option, not the "--tasks" option as described in the manual,
> section 2.2.1 (specifying parallel execution).
>
> Cheers,
> Luc
>
>
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