GitHub repository: CINECA-HPC/container_quantum_espresso_gpu_openmpi_centos7_x86_64
Primary language: Dockerfile
Created: 2020-10-29T14:59:46Z
Description: Container recipes of Quantum Espresso for gpu, architecture x86_64 based on CentOS 7.  In the specific:  - CentOS 7 with cuda library (10.0-devel-centos7)  - GNU compiler 4.8.5 - Python 2.7 - Python 3.6 - Intel mkl 2019.4-070 - PGI 19.10 (2019), C and fortran compilers developed by Nvidia - Openmpi 4.0.1 (compiled with support for cuda, psm2, pmix, verbs)  - Quantum Espresso 6.4.1a1_mod ( compiled with --with-cuda-runtime=10.0 --with-cuda-cc=70 --enable-openmp --enable-openmp=yes --enable-parallel=yes)  This recipe works in the Cineca cluster (arch x86_64):  - Galileo