container_quantum_espresso_cpu_intelmpi_centos7_x86_64:基于CentOS 7的带有架构x86_64的cpu

container_quantum_espresso_cpu_intelmpi_centos7_x86_64 用于基于CentOS 7的架构x86_64的带有cpu的Quantum Espresso的容器配方。 centOS 7 GNU编译器4.8.5 Python 2.7 IntelMPI 2018(带有IntelOPA.RHEL73.10.5.0.0.155,OFI.RHEL72.64.10.5.0.0.155-112) Quantum Espresso 6.3(使用--enable-openmp = yes --enable-parallel = yes --with-scalapack = intel的反向端口) 此食谱可在Cineca群集(架构x86_64)中使用: Marconi Skylake