A performance study of Quantum ESPRESSO's PWscf code on multi-core and GPU systems
We describe the porting of PWscf (Plane-Wave Self Consistent Field), a key component of
the Quantum ESPRESSO open-source suite of codes for materials modeling, to GPU
systems using CUDA Fortran. Kernel loop directives (CUF kernels) have been extensively
used in order to have a single source code for both CPU and GPU implementations. The
results of the GPU version have been carefully validated and the performance of the code on
several GPU systems (both x86 and POWER8 based) has been compared with traditional …
the Quantum ESPRESSO open-source suite of codes for materials modeling, to GPU
systems using CUDA Fortran. Kernel loop directives (CUF kernels) have been extensively
used in order to have a single source code for both CPU and GPU implementations. The
results of the GPU version have been carefully validated and the performance of the code on
several GPU systems (both x86 and POWER8 based) has been compared with traditional …
A Performance Study of Quantum ESPRESSO's PWscf Code on Multi-core and GPU Systems
M Fatica, F Spiga, P Giannozzi - High Performance Computing …, 2017 - books.google.com
We describe the porting of PWscf (Plane-Wave Self Consistent Field), a key component of
the Quantum ESPRESSO open-source suite of codes for materials modeling, to GPU
systems using CUDA Fortran. Kernel loop directives (CUF kernels) have been extensively
used in order to have a single source code for both CPU and GPU implementations. The
results of the GPU version have been carefully validated and the performance of the code on
several GPU systems (both x86 and POWER8 based) has been compared with traditional …
the Quantum ESPRESSO open-source suite of codes for materials modeling, to GPU
systems using CUDA Fortran. Kernel loop directives (CUF kernels) have been extensively
used in order to have a single source code for both CPU and GPU implementations. The
results of the GPU version have been carefully validated and the performance of the code on
several GPU systems (both x86 and POWER8 based) has been compared with traditional …
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