VNU-KeyLAB employs a computing cluster hosted at the VNU University of Science:
Hardware Characteristics
- 36 compute nodes (1296 CPU cores in total), each node equipped with:
- 02 Intel® Xeon® E5-2697 v4 Broadwell-EP processors
- 2 x 18 cores
- 2.30 GHz
- AVX 2.0 ISA extension
- 45 MiB Cache
- 04 compute nodes equipped with one NVIDIA K80 GPUs (two visible devices per node)
- 4992 CUDA cores
- 24 GiB GDDR5 memory
- 64 (16×4) GiB DDR4 SDRAM memory (2400 MHz)
- 512 GiB Solid State Disk
- 02 Intel® Xeon® E5-2697 v4 Broadwell-EP processors
- Mellanox FDR (56 GB/s) InfiniBand internode communication with non-blocking fat tree topology (Connect-IB card)
- One storage node with 40 TB.
Software Characteristics:
- CentOS 7.9 operating system
- PBS Pro TORQUE (Resource manager)/MAUI (Job scheduler) batch system
- Intel Fortran, C/C++ OneAPI 2021.4 compiler
- Intel Math Kernel Library
- Intel MPI (Message Passing Interface) Implementation
- Schrödinger Small Molecule Drug Design software.
- Gaussian 16 quantum chemistry software.
- Many scientific computing open-source software and libraries: GROMACS, Quantum Espresso, CP2K, FreeFem++, TensorFlow, CUDA, ….
Equipment from additional research projects and grants:
- One dedicated rack-mount web server.
- Two-dimensional electrophoresis equipment.
- VASP (licensed to Dr. Nguyen Thuy Trang) software.