GROMACS - E-HPC
/water_GMX50_bare.tar.gz$ tar xzvf water_GMX50_bare.tar.gz1. Submit the PBS job to run the water example: - For PBS job script of high-configuration computing node (32 CPU cores, dual GPU cards). ```bash$ cat gromacs_single_node.pbs#!/bin/sh#PBS -l ncpus=32,mem=4gb#PBS ...
Job submission - E-HPC
schedulingE-HPC currently supports two types of E-HPC job schedulers:
PBS$ cat test.pbs#!/bin/sh#PBS -l ncpus=4,mem=1gb#PBS -l walltime=00:10:00#PBS -o test_pbs.log#PBS -j oecd $HOMEtest.py -i test.data$ qsub test.pbs
PBS job scheduling ...
LAMMPS - E-HPC
236salloc: Waiting for resource configurationsalloc: Nodes s[02-03] are ready for jobLAMMPS (31 Mar 2017)
Submit PBS jobs (GPU acceleration):
$ cat lammps_single_node.pbs#!/bin/sh#PBS -l ncpus=28,mem=12gb#PBS -l walltime=00:10:00#PBS -o lammps_pbs.log#PBS -j ...
NAS mount directory rules - E-HPC
pointRemotePath=/pbs/home # Remote directory
On the nodes (such as computing nodes) of the newly created cluster, the mount logic is as follows:
Create level-2 and level-3 directories in the remote directory based on the cluster name.
API for clusters - E-HPC
Operating system image tag, which can be queried using the ListImages API.
Scheduler type. Currently, PBS is supported.
Service type of the domain account. Currently, NIS is supported ...
Images, Schedulers, and the Account types - E-HPC
Cluster schedulersE-HPC supports PBS Pro, Slurm, and Grid Engine (SGE) clusters. The following table shows the supported schedulers:
CentOS 7.2/7.3/7.4, 64-bit
PBS Pro, Slurm
CentOS 6.8/6.9, 64-bit
PBS Pro ...
FAQ - Data Transport
tens of PBs of data for several clients. Each time, the Data Transport service can transmit up to 100TB of data. If the data is ...