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 @@
"/ddn/home8/r2610/bin/c4ext_new.sh $NCPUS"
"/ddnlus/r2518/bin/c4ext_new.sh $NCPUS"
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.