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--- cluster:73 [2020/07/15 20:22]
hmeij07 [LAMMPS CPU/GPU]
+++ cluster:73 [2020/07/31 19:11]
hmeij07
@@ Line 3: / Line 3: @@
 ====== Software ======
+IMPORTANT NOTE: **Since moving to the TrueNAS/ZFS appliance all references to** ''/home/apps'' **should be replaced with** ''/share/apps'' **which points to** ''/zfshomes/apps''
+ --- //[[hmeij@wesleyan.edu|Henk]] 2020/07/31 15:08//
 The listings below will be updated as software is installed, location is /share/apps/ or /home/apps/ (same thing).
@@ Line 14: / Line 18: @@
 on either cottontail2 or node n33 located at /share/apps/CENTOS6 \\
 Some compilations require 7.x and are in /share/apps/CENTOS7 \\
+====== EMBOSS ======
+  * /share/apps/CENTOS6/EMBOSS
+  * /share/apps/CENTOS6/EMBOSS/6.6.0.install (read to setup env)
+  * https://www.ebi.ac.uk/services
+  * jfabry/kthayer
 ====== Sequencing Tools #2 ======
@@ Line 944: / Line 955: @@
 ====== Gromacs =====
-Gromacs-2018 for GPU (RTX2080)
+Gromacs-2020.3 for GPU (RTX2080S)
+  * ''exx96'' queue
+  * see /share/apps/CENTOS7/gromacs/2020.3.install for env
+  * change env in script below
+Gromacs-2018 for GPU (RTX2080S)
   * ''exx96'' queue
   * **/zfshomes/hmeij/k20redo/run.rtx sample script**
@@ Line 1252: / Line 1268: @@
 ** CPU ONLY v2 CentOS7 **
-  * add user-opm on next compile ...
+  * add user-opm on next compile ... done ... binaries with string +user-omp
   * /share/apps/CENTOS7/lammps/3Mar2020
     * lmp_serial, lmp_mpi
@@ Line 1276: / Line 1292: @@
 ** CPU or GPU **
+  * added lmp_mpi-single-single+user-omp
   * /share/apps/CENTOS7/lammps/3Mar2020

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