@@ -138,10 +138,11 @@ GROMACS supports all the usual algorithms you expect from a modern molecular dyn
Instructions:
- Web site: http://www.gromacs.org/
- Code download: http://www.gromacs.org/Downloads The UEABS benchmark cases require the use of 5.1.x or newer branch: the latest 2016 version is suggested.
- Test Case A: https://repository.prace-ri.eu/ueabs/GROMACS/1.2/GROMACS_TestCaseA.tar.gz
- Test Case B: https://repository.prace-ri.eu/ueabs/GROMACS/1.2/GROMACS_TestCaseB.tar.gz
- Run instructions: https://repository.prace-ri.eu/git/UEABS/ueabs/blob/r1.3/gromacs/GROMACS_Run_README.txt
- Code download: http://www.gromacs.org/Downloads The UEABS benchmark cases require the use of a 2020 or newer versio.
- Test Case A: https://repository.prace-ri.eu/ueabs/GROMACS/2.2/GROMACS_TestCaseA.tar.xz
- Test Case B: https://repository.prace-ri.eu/ueabs/GROMACS/2.2/GROMACS_TestCaseB.tar.xz
- Test Case C: https://repository.prace-ri.eu/ueabs/GROMACS/2.2/GROMACS_TestCaseC.tar.xz
- Build and Run Instructions : https://repository.prace-ri.eu/git/UEABS/ueabs/-/blob/r2.2-dev/gromacs/README.md
# NAMD <a name="namd"></a>
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@@ -158,9 +159,10 @@ NAMD is written in C++ and parallelised using Charm++ parallel objects, which ar
