Difference between revisions of "TARDIS3 Cluster"

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* module load openmpi4/4.0.4
 
* module load openmpi4/4.0.4
 
* module load vasp/5.4.1
 
* module load vasp/5.4.1
 +
|-
 +
| xcrysden
 +
| /opt/ohpc/pub/apps/xcrysden/1.6.2
 +
|
 +
* module load intel/2021.1.2.266
 +
* module load xcrysden/1.6.2
 
|-
 
|-
 
| WANNIER90 3.1.0
 
| WANNIER90 3.1.0

Revision as of 09:25, 5 March 2021

General Information

Tardis3 cluster is a reinstallation of TARDIS Cluster using OpenHPC 2/CentOS 8. TARDIS Cluster nodes will eventually be migrated to this new cluster.

Scheduler/Queues

  • The cluster scheduler is Slurm. Currently 32 new Dell R440 servers are configured to be in the "c8" partition/queue with no time limits. c1 to c7 queues will be added as the nodes are migrated from the TARDIS Cluster. See Slurm documentation page for details.
  • Remember, hyperthreading is enabled on the cluster, so Slurm considers each physical core to consist of two logical CPUs.
  • Partitions (queues):
Name Physical Cores HT/Slurm CPUs RAM Infiniband Time Limit
c8 40 80 95 EDR (100 Gb/s) no limit

Software List

Software Path Notes
*GNU Compilers 9.3.0 /opt/ohpc/pub/compiler/gcc/9.3.0 module load gnu9/9.3.0
Intel Compilers 2021.1.2.266 (2021 Update 1) /opt/intel/oneapi/compiler/2021.1.2 module load intel/2021.1.2.266
*openmpi 4.0.4
  • /opt/ohpc/pub/mpi/openmpi4-gnu9
  • /opt/ohpc/pub/mpi/openmpi4-intel
module load openmpi4
abinit 9.4.0 /opt/ohpc/pub/apps/abinit/9.4.0
  • module load intel/2021.1.2.266
  • module load openmpi4/4.0.4
  • module load abinit/9.4.0
fermisurfer 2.1.0 /opt/ohpc/pub/apps/fermisurfer/2.1.0
  • module load intel/2021.1.2.266
  • module load fermisurfer/2.1.0
  • phono3py 1.22.2
  • phonopy 2.9.1
/opt/ohpc/pub/libs/intel/openmpi4/phono3py/1.22.2
  • module load intel/2021.1.2.266
  • module load openmpi4/4.0.4
  • module load py3-phono3py/1.22.2
Quantum Espresso 6.7.0 /opt/ohpc/pub/apps/quantum-espresso/6.7.0
  • module load intel/2021.1.2.266
  • module load openmpi4/4.0.4
  • module load quantum-espresso/6.7.0
Vasp 5.4.1 (with WANNIER90) /opt/ohpc/pub/apps/vasp/5.4.1
  • module load intel/2021.1.2.266
  • module load openmpi4/4.0.4
  • module load vasp/5.4.1
xcrysden /opt/ohpc/pub/apps/xcrysden/1.6.2
  • module load intel/2021.1.2.266
  • module load xcrysden/1.6.2
WANNIER90 3.1.0 /opt/ohpc/pub/apps/wannier90/3.1.0
  • module load intel/2021.1.2.266
  • module load openmpi4/4.0.4
  • module load wannier90/3.1.0