update cfour templates with ones that work

ntBre · Sep 15, 2024 · 976396a · 976396a
1 parent cb7fd2d
commit 976396a
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diff --git 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\"
 """
diff --git a/docs/index.html b/docs/index.html
@@ -1163,7 +1163,7 @@ <h4 id=pbs><a href="#pbs">PBS</a></h4>
 </tr>
 <tr>
 <td>CFOUR</td>
-<td><code>"/ddn/home8/r2610/bin/c4ext_new.sh $NCPUS"</code></td>
+<td><code>"/ddnlus/r2518/bin/c4ext_new.sh $NCPUS"</code></td>
 </tr>
 <tr>
 <td>DFTB+</td>
@@ -1175,13 +1175,7 @@ <h4 id=pbs><a href="#pbs">PBS</a></h4>
 	<p>
 	  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 <code>queue_template</code> with an
-	  updated <code>CFOUR_CMD</code> value.
+	  separated by spaces.
 	</p>
 
 	<!-- These spaces are a disgusting hack to keep separate anchors for each
@@ -1288,14 +1282,9 @@ <h5 id=cfour-><a href="#cfour-">CFOUR </a></h5>
 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\"
 """</code></pre>
 
-	<p>
-	  Again, for MCSR users, note that this example file will not run on
-	  hpcwoods because of the outdated CFOUR path and script.
-	</p>
-
 	<h5 id=dftb+-><a href="#dftb+-">DFTB+ </a></h5>
 	<pre><code>queue_template = """
 #!/bin/sh

diff --git a/docs/tables/pbs.csv b/docs/tables/pbs.csv
@@ -1,5 +1,5 @@
 Program,Default Command
 MOPAC,<code>/ddnlus/r2518/Packages/mopac/build/mopac</code>
 Molpro,<code>"molpro -t $NCPUS --no-xml-output"</code>
-CFOUR,<code>"/ddn/home8/r2610/bin/c4ext_new.sh $NCPUS"</code>
+CFOUR,<code>"/ddnlus/r2518/bin/c4ext_new.sh $NCPUS"</code>
 DFTB+,<code>/ddnlus/r2518/.conda/envs/dftb/bin/dftb+</code>
diff --git a/docs/template.html b/docs/template.html
@@ -847,13 +847,7 @@ <h2>Table of Contents</h2>
 	<p>
 	  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 <code>queue_template</code> with an
-	  updated <code>CFOUR_CMD</code> value.
+	  separated by spaces.
 	</p>
 
 	<!-- These spaces are a disgusting hack to keep separate anchors for each
@@ -900,11 +894,6 @@ <h2>Table of Contents</h2>
 	head5(CFOUR )
 	code_block(examples/pbs_cfour.toml)
 
-	<p>
-	  Again, for MCSR users, note that this example file will not run on
-	  hpcwoods because of the outdated CFOUR path and script.
-	</p>
-
 	head5(DFTB+ )
 	code_block(examples/pbs_dftb.toml)