HPC & Quantum
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HPC Guru (Twitter)

Open-Source Multi-#GPU-Accelerated QM/MM Simulations with AMBER (@ambermdprog) and QUICK (QUantum Interaction Computational Kernel)

Great work, however better to report GPU speedup to CPU socket, NOT single core

https://pubs.acs.org/doi/10.1021/acs.jcim.1c00169

#HPC #CompChem via @vwcruzeiro @awgoetz
HPC Guru (Twitter)

Congratulations @CP2Kproject on achieving >1 EFLOP/s FP16/FP32 performance using 4,400 @VIDIA A100 #GPUs on #Perlmutter @NERSC

Good work on identifying the right domain over which you could claim to be the first 😉!

#HPC #CompChem via @chris_bloke
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@chris_bloke:
Great result, real science, run at @NERSC @ENERGY #HPC

"To the best of our knowledge, the achieved ∼1.1 EFLOP/s in FP16/FP32 floating-point arithmetic [...] the first algorithm in computational natural science that has broken the exaflop barrier within a scientific application" https://t.co/IlJY5HAQu3
HPC Guru (Twitter)

RT @PaesaniLab: Today some of our pirates took a trip to the @SDSC_UCSD to check out some of the machines we run our simulations on!🏴‍☠️#SDSC #compchem https://twitter.com/PaesaniLab/status/1562931097528283136/photo/1
HPC Guru (Twitter)

Congratulations to the whole team, @jppiquem

#HPC #COVID19
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@jppiquem:
Honored to receive the HPC Innovation Excellence Award(@Hyperion_HPC/ #HPC User Forum) for our SARSCoV2 #compchem works. Kudos to the team @LCT_UMR7616 & @qubit_pharma. Thanks to @Genci_fr @PRACE_RI @awscloud for support. EMC2 @ERC_Research #supercomputing https://t.co/4IxMne1gBy https://t.co/We6AjtvKOO