From 96a43065c74728c6367edd0ef9a79eaed0a15ed4 Mon Sep 17 00:00:00 2001 From: Sambit Das Date: Fri, 15 Mar 2024 17:53:31 -0400 Subject: [PATCH 1/2] force vself bins solve to go via CPUs --- src/dft/dft.cc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/dft/dft.cc b/src/dft/dft.cc index d113f4e5e..832c9c933 100644 --- a/src/dft/dft.cc +++ b/src/dft/dft.cc @@ -2077,7 +2077,7 @@ namespace dftfe computing_timer.enter_subsection("Nuclear self-potential solve"); computingTimerStandard.enter_subsection("Nuclear self-potential solve"); #ifdef DFTFE_WITH_DEVICE - if (d_dftParamsPtr->useDevice) + if (d_dftParamsPtr->useDevice and false) d_vselfBinsManager.solveVselfInBinsDevice( d_basisOperationsPtrElectroHost, d_baseDofHandlerIndexElectro, From 64bc9b62ca7bbc537f18495fc52ff6074e679a43 Mon Sep 17 00:00:00 2001 From: Sambit Das Date: Fri, 15 Mar 2024 17:55:02 -0400 Subject: [PATCH 2/2] nscf vself bins solve to go via CPUs --- src/dft/solveNSCF.cc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/dft/solveNSCF.cc b/src/dft/solveNSCF.cc index c626994bb..cb8223a43 100644 --- a/src/dft/solveNSCF.cc +++ b/src/dft/solveNSCF.cc @@ -74,7 +74,7 @@ namespace dftfe computing_timer.enter_subsection("Nuclear self-potential solve"); computingTimerStandard.enter_subsection("Nuclear self-potential solve"); #ifdef DFTFE_WITH_DEVICE - if (d_dftParamsPtr->useDevice) + if (d_dftParamsPtr->useDevice and false) d_vselfBinsManager.solveVselfInBinsDevice( d_basisOperationsPtrElectroHost, d_baseDofHandlerIndexElectro,