From 9dc25ef0095878a057cc37bb89204ca5edd4863e Mon Sep 17 00:00:00 2001 From: Dimitris Dellis Date: Sun, 4 Apr 2021 21:41:02 +0300 Subject: [PATCH] Update master README.md with links to datasets --- README.md | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/README.md b/README.md index 6e5d863..1d77685 100644 --- a/README.md +++ b/README.md @@ -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 @@ -158,9 +159,10 @@ NAMD is written in C++ and parallelised using Charm++ parallel objects, which ar - Web site: http://www.ks.uiuc.edu/Research/namd/ - Code download: https://repository.prace-ri.eu/git/UEABS/ueabs/blob/r1.3/namd/NAMD_Download_README.txt - Build instructions: https://repository.prace-ri.eu/git/UEABS/ueabs/blob/r1.3/namd/NAMD_Build_README.txt -- Test Case A: https://repository.prace-ri.eu/ueabs/NAMD/1.2/NAMD_TestCaseA.tar.gz -- Test Case B: https://repository.prace-ri.eu/ueabs/NAMD/1.2/NAMD_TestCaseB.tar.gz -- Run instructions: https://repository.prace-ri.eu/git/UEABS/ueabs/blob/r1.3/namd/NAMD_Run_README.txt +- Test Case A: https://repository.prace-ri.eu/ueabs/NAMD/2.2/NAMD_TestCaseA.tar.xz +- Test Case B: https://repository.prace-ri.eu/ueabs/NAMD/2.2/NAMD_TestCaseB.tar.xz +- Test Case C: https://repository.prace-ri.eu/ueabs/NAMD/2.2/NAMD_TestCaseC.tar.xz +- Build and Run Instructions : https://repository.prace-ri.eu/git/UEABS/ueabs/-/blob/r2.2-dev/NAMD/README.md # NEMO -- GitLab