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11/8/24: I'm currently meeting with Paul and we are looking into why this isn't working. Paul removed USE_ACC preprocessor statements to ensure that ACC pragma statements are immediately preceding loops.
Paul thinks if you try to compute the 3 center integrals on multiple GPUs it will fail. He modified compute_ints in hartree.cpp to only use 1 GPU for the 3 center integrals. Search for "CPMZ kludge"
We should finish SlaterGPU/#16 and then come back to this.
The text was updated successfully, but these errors were encountered:
joshkamm
changed the title
Fix multiple gpu support in SlaterGPU
Fix multiple gpu support
Nov 8, 2024
11/8/24: I'm currently meeting with Paul and we are looking into why this isn't working. Paul removed USE_ACC preprocessor statements to ensure that ACC pragma statements are immediately preceding loops.
Paul thinks if you try to compute the 3 center integrals on multiple GPUs it will fail. He modified compute_ints in hartree.cpp to only use 1 GPU for the 3 center integrals. Search for "CPMZ kludge"
We should finish SlaterGPU/#16 and then come back to this.
The text was updated successfully, but these errors were encountered: