CINECA-HPC / container_quantum_espresso_yambo_cpu_openmpi_centos7_x86_64 Public

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Singularity container recipe for Quantum Espresso and Yambo for cpu, architecture x86_64 based on CentOS 7.

GPL-3.0 license

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container_quantum_espresso_yambo_cpu_openmpi_centos7_x86_64

Container recipes for Quantum Espresso and Yambo for cpu, architecture x86_64 based on CentOS 7. In the specific:

centOS 7
GNU compiler 7.3.1
Python 2.7
Python 3.6
Openmpi 2.1.1
Quantum Espresso 6.5 ( with --enable-openmp=yes --enable-parallel=yes)
Yambo 4.5.3

This recipe works in the Cineca cluster (arch x86_64):

Marconi Skylake

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Singularity container recipe for Quantum Espresso and Yambo for cpu, architecture x86_64 based on CentOS 7.

GPL-3.0 license

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