From b90abbfc83beaeaa9542fc22811f015b225309c4 Mon Sep 17 00:00:00 2001 From: Jakub Kropacek <jakub.kropacek@vsb.cz> Date: Mon, 26 Jul 2021 11:32:43 +0200 Subject: [PATCH] fix capitalization --- docs.it4i/software/chemistry/orca.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs.it4i/software/chemistry/orca.md b/docs.it4i/software/chemistry/orca.md index 682bda210..12458b794 100644 --- a/docs.it4i/software/chemistry/orca.md +++ b/docs.it4i/software/chemistry/orca.md @@ -180,7 +180,7 @@ You can see, that the program was running with 64 parallel MPI-processes. In ver * SOC * Numerical Gradients and Frequencies -## Running ORCA version 5.0.0 in parallel +## Running ORCA Version 5.0.0 in Parallel On Barbora cluster, version 5.0.0 is available. However, to run it in parallel you need to specify execution nodes via `inputfilename.nodes` file. Additionally, all calculations **must** be run on SCRATCH. -- GitLab