diff --git a/host/src/performdocking.cpp.Cuda b/host/src/performdocking.cpp.Cuda index 54300ab8..dfa3491f 100644 --- a/host/src/performdocking.cpp.Cuda +++ b/host/src/performdocking.cpp.Cuda @@ -119,16 +119,12 @@ void setup_gpu_for_docking( GpuTempData& tData ) { - cudaError_t status; - if(cData.devnum<-1){ - status = cudaSetDevice(cData.devid); - return; // device already setup - } + if(cData.devnum<-1) return; // device already setup auto const t0 = std::chrono::steady_clock::now(); // Initialize CUDA int gpuCount=0; - status = cudaGetDeviceCount(&gpuCount); + cudaError_t status = cudaGetDeviceCount(&gpuCount); RTERROR(status, "cudaGetDeviceCount failed"); if (gpuCount == 0) { @@ -316,7 +312,7 @@ parameters argc and argv: if(output!=NULL) outbuf = (char*)malloc(256*sizeof(char)); auto const t1 = std::chrono::steady_clock::now(); - cudaError_t status; + cudaError_t status = cudaSetDevice(cData.devid); // make sure we're on the correct device Liganddata myligand_reference; @@ -590,21 +586,6 @@ parameters argc and argv: unsigned int ite_cnt = 0; #endif - /* - // Added for printing intracontributor_pairs (autodockdevpy) - for (unsigned int intrapair_cnt=0; - intrapair_cnt