diff --git a/docs/examples/pbs_cfour.toml b/docs/examples/pbs_cfour.toml index 2d5777c8..98e39999 100644 --- a/docs/examples/pbs_cfour.toml +++ b/docs/examples/pbs_cfour.toml @@ -15,5 +15,5 @@ module load openpbs export WORKDIR=$PBS_O_WORKDIR cd $WORKDIR -CFOUR_CMD=\"/ddn/home8/r2610/bin/c4ext_new.sh $NCPUS\" +CFOUR_CMD=\"/ddnlus/r2518/bin/c4ext_new.sh $NCPUS\" """ \ No newline at end of file diff --git a/docs/index.html b/docs/index.html index 6f224ead..73a248dc 100644 --- a/docs/index.html +++ b/docs/index.html @@ -1163,7 +1163,7 @@

PBS

CFOUR -"/ddn/home8/r2610/bin/c4ext_new.sh $NCPUS" +"/ddnlus/r2518/bin/c4ext_new.sh $NCPUS" DFTB+ @@ -1175,13 +1175,7 @@

PBS

MOPAC and DFTB+ have simple commands (just paths to executables here that don't require quotes, but Molpro and CFOUR require additional arguments - separated by spaces. For MCSR users, note that the default CFOUR command - has not been updated following the Lustre migration and will thus not - work. I was going to update this, but that CFOUR script also contains many - references to the previous filesystem and won't work anyway. Thus, - consider this default only as an example. Real usage of CFOUR will require - a custom queue_template with an - updated CFOUR_CMD value. + separated by spaces.