Dear Jason,
I am not quite sure what you mean by "linking line" - where can I find that in config.h file?
Here's the portion of the config file that is relevant for the pmemd.cuda part. If this is the section that needs to be modified, can you let me know
which line to add -lstdcc++ and in what precise manner?
#CUDA Specific build flags
NVCC=/usr/local/cuda-5.5/bin/nvcc -gencode arch=compute_13,code=sm_13 -gencode arch=compute_20,code=sm_20 -gencode arch=compute_30,code=sm_30 -gencode arch=compute_35,code=sm_35 -use_fast_math -O3
PMEMD_CU_INCLUDES=-I$(CUDA_HOME)/include -IB40C -IB40C/KernelCommon
PMEMD_CU_LIBS=./cuda/cuda.a -L$(CUDA_HOME)/lib64 -L$(CUDA_HOME)/lib -lcurand -lcufft -lcudart
PMEMD_CU_DEFINES=-DCUDA -Duse_SPFP
#PMEMD Specific build flags
PMEMD_F90=gfortran -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT
PMEMD_FOPTFLAGS=-O3 -mtune=native $(AMBERBUILDFLAGS)
PMEMD_CC=gcc
PMEMD_COPTFLAGS=-O3 -mtune=native -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ $(AMBERBUILDFLAGS)
PMEMD_FLIBSF=
PMEMD_LD= gfortran $(AMBERBUILDFLAGS)
LDOUT= -o
Best wishes,
Robert
Dr. Robert O.J. Weinzierl,
Reader in Molecular Biology,
Imperial College London,
Department of Life Sciences,
Sir Alexander Fleming Building, Room 510
London SW7 2AZ; United Kingdom
Tel.: +44 (0)20 7594 5236
r.weinzierl.imperial.ac.uk
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Received on Fri Mar 21 2014 - 08:00:03 PDT
