Skip to content
Snippets Groups Projects
Commit a7b5d028 authored by Lukáš Krupčík's avatar Lukáš Krupčík
Browse files

opraveno

parent 14676d74
No related branches found
No related tags found
5 merge requests!368Update prace.md to document the change from qprace to qprod as the default...,!367Update prace.md to document the change from qprace to qprod as the default...,!366Update prace.md to document the change from qprace to qprod as the default...,!323extended-acls-storage-section,!67Remark
Pipeline #
Hide whitespace changes
Inline Side-by-side
docs.it4i/software/orca.md
+ 2
− 0
View file @ a7b5d028
...@@ -32,6 +32,7 @@ Currently Loaded Modulefiles: ...@@ -32,6 +32,7 @@ Currently Loaded Modulefiles:
Create a file called orca_serial.inp that contains the following orca commands Create a file called orca_serial.inp that contains the following orca commands
```cpp
# My first ORCA calculation :-) # My first ORCA calculation :-)
# #
# Taken from the Orca manual # Taken from the Orca manual
...@@ -41,6 +42,7 @@ Create a file called orca_serial.inp that contains the following orca commands ...@@ -41,6 +42,7 @@ Create a file called orca_serial.inp that contains the following orca commands
C 0 0 0 C 0 0 0
O 0 0 1.13 O 0 0 1.13
* *
```
Create a Sun Grid Engine submission file called submit_serial.sh that looks like this Create a Sun Grid Engine submission file called submit_serial.sh that looks like this
......
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment