Производительность современных вычислительных платформ в расчетах молекулярной динамики белок

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Производительность современных вычислительных платформ в расчетах молекулярной динамики белок - мембранных систем

Труды НИИСИ РАН. 2018. Т. 7. № 4. С. 157–161.

Nolde D., Krylov N., Телегин П. Н., Efremov R., Шабанов Б. М.

The performance of molecular dynamics software package Gromacs was measured on various
hardware: desktop computers, clusters based on x84_64 processors or many integrated core processors, and
heterogeneous system with gaming graphic cards or general purpose GPU systems. The optimal choice of hardware
for molecular dynamics simulations is discussed.

Research target: Computer Science Biology

Priority areas: IT and mathematics

Language: Russian

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