High performance computingImage use case Gromacs

GROMACS is an open-source molecular dynamics software designed to efficiently simulate complex biomolecular systems. It stands out for its speed, excellent CPU/GPU optimisation, and great scientific flexibility. Installed on a dedicated server, it benefits from exclusive and stable hardware resources, ideal for intensive calculations. This configuration allows for faster, more reliable simulations that are perfectly tailored to research needs.

Servers tested by experts and recommended for workloads on GROMACS

4.0

Gromacs-Adapted Score

Minimal

SCALE-a4

US$649.00

excl. GST/month

or US$778.80 incl. VAT/month

Setup fee: US$649.00

Order

Processor: AMD EPYC 9455

Cores / Threads: 48c / 96t

Frequency: 3.15GHz / 4.4GHz

RAM: 128GB DDR5 ECC 4800MHz

4.5

Gromacs-Adapted Score

Recommended

HGR-HCI-a2

US$1,505.00

excl. GST/month

or US$1,806.00 incl. VAT/month

Setup fee: US$1,505.00

Order

Processor: AMD Epyc 9354

Cores / Threads: 32c / 64t

Frequency: 3.25GHz / 3.8GHz

RAM: 384GB DDR5 ECC 4800MHz

4.9

Gromacs-Adapted Score

Best

SCALE-a5

US$756.00

excl. GST/month

or US$907.20 incl. VAT/month

Setup fee: US$756.00

Order

Processor: AMD EPYC 9555

Cores / Threads: 64c / 128t

Frequency: 3.2GHz / 4.4GHz

RAM: 128GB DDR5 ECC 4800MHz

5.0

Gromacs-Adapted Score

Better

HGR-HCI-i4

US$1,428.00

excl. GST/month

or US$1,713.60 incl. VAT/month

Setup fee: US$1,428.00

Order

Processor: Intel Xeon Gold 6554S

Cores / Threads: 36c / 72t

Frequency: 2.2GHz / 3GHz

RAM: 256GB DDR5 ECC 4800MHz

water_GMX50_bare

4.0

Gromacs-Adapted Score

Minimal

SCALE-a4

US$649.00

excl. GST/month

or US$778.80 incl. VAT/month

Setup fee: US$649.00

Order

Processor: AMD EPYC 9455

Cores / Threads: 48c / 96t

Frequency: 3.15GHz / 4.4GHz

RAM: 128GB DDR5 ECC 4800MHz

4.5

Gromacs-Adapted Score

Recommended

HGR-HCI-a2

US$1,505.00

excl. GST/month

or US$1,806.00 incl. VAT/month

Setup fee: US$1,505.00

Order

Processor: AMD Epyc 9354

Cores / Threads: 32c / 64t

Frequency: 3.25GHz / 3.8GHz

RAM: 384GB DDR5 ECC 4800MHz

4.9

Gromacs-Adapted Score

Best

SCALE-a5

US$756.00

excl. GST/month

or US$907.20 incl. VAT/month

Setup fee: US$756.00

Order

Processor: AMD EPYC 9555

Cores / Threads: 64c / 128t

Frequency: 3.2GHz / 4.4GHz

RAM: 128GB DDR5 ECC 4800MHz

5.0

Gromacs-Adapted Score

Better

HGR-HCI-i4

US$1,428.00

excl. GST/month

or US$1,713.60 incl. VAT/month

Setup fee: US$1,428.00

Order

Processor: Intel Xeon Gold 6554S

Cores / Threads: 36c / 72t

Frequency: 2.2GHz / 3GHz

RAM: 256GB DDR5 ECC 4800MHz

Metric

MetricMinimum RequirementBest Requirement
water_GMX50_bare
112

Weighting of metrics in the score calculation

Adapted Score
water_GMX50_bare100.00%
water_GMX50_bare100.00%

Score scale from 0 to 5 to evaluate server adequacy

5.04.33.40
Ideal zone

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