Difference between revisions of "TARDIS3 Cluster"
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| abinit 9.4.0 | | abinit 9.4.0 | ||
− | | | + | | /opt/ohpc/pub/apps/abinit/9.4.0 |
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* module load intel/2021.1.2.266 | * module load intel/2021.1.2.266 | ||
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| fermisurfer 2.1.0 | | fermisurfer 2.1.0 | ||
+ | | /opt/ohpc/pub/apps/fermisurfer/2.1.0 | ||
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− | * /opt/ohpc/pub/ | + | * module load intel/2021.1.2.266 |
+ | * module load fermisurfer/2.1.0 | ||
+ | |- | ||
+ | | phonopy 1.22.2 | ||
+ | | /opt/ohpc/pub/libs/intel/openmpi4/phono3py/1.22.2 | ||
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* module load intel/2021.1.2.266 | * module load intel/2021.1.2.266 | ||
− | * module load | + | * module load openmpi4/4.0.4 |
+ | * module load py3-phono3py/1.22.2 | ||
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| Quantum Espresso 6.7.0 | | Quantum Espresso 6.7.0 |
Revision as of 09:35, 4 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
phonopy 1.22.2 /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
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