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jdftx_gpu CUDA Error: out of memory
Hello: My system has about 280 atoms. When I use jdftx_gpu (1.7.0 version) on a NVIDIA A100 with 40G memory, there is always error: CUDA Error: out of memory. Are there any keywords that can be adjusted to reduce memory usage, or are there any other suggestions? This is my input: dump-name $VAR initial-state $VAR elec-cutoff 15 60 elec-ex-corr gga-PBE core-overlap-check None kpoint-folding 1 1 1 elec-smearing Gauss 0.0018 fluid LinearPCM pcm-variant CANDLE fluid-solvent H2O fluid-cation K+ 1. fluid-anion Cl- 1. van-der-waals D3 electronic-minimize nIterations 100 energyDiffThreshold 1e-08 target-mu -0.17125175477924692 spintype z-spin ion-species GBRV/$ID_pbe.uspp
coulomb-interaction periodic dump End State dump End Forces dump End Ecomponents