From: sunyeping (sunyeping_at_aliyun.com)
Date: Sat Jan 02 2016 - 22:55:10 CST
Dear all,I am trying to do GBIS simulation with namd-2.11. The following are the GBIS parameters:#GBIS parametersGBIS onsolventDielectric 78.5intrinsicRadiusOffset 0.09ionConcentration 0.2GBISDelta 1.0GBISBeta 0.8GBISGamma 4.85alphaCutoff 15SASA onsurfaceTension 0.005However, it returns the follow errors:Reason: FATAL ERROR: CUDA error in cuda_check_remote_progress on Pe 1 (localhost device 0): an illegal memory access was encounteredPe 1 has 0 local and 24 remote patches and 0 local and 118 remote computes.Pe 2 has 0 local and 16 remote patches and 0 local and 67 remote computes.FATAL ERROR: CUDA error in cuda_check_remote_progress on Pe 1 (localhost device 0): an illegal memory access was encounteredIf I give turn of the GBIS, the simulation can be done properly. Any suggestion about these problems? Thank you in advance.Best regards.Yeping SunInstitute of Microbiology, Chinese Academy of Sciences
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