ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators
https://autodock.scripps.edu
GNU General Public License v2.0
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cuda.h no such file #158

Closed OscarAuAlvarez closed 3 years ago

OscarAuAlvarez commented 3 years ago

Describe the bug When trying to compile with make DEVICE=CUDA NUMMI=128, at the end I found the 2 errors: In file included from ./host/src/main.cpp:40:0: ./host/inc/performdocking.h:32:18: fatal error: cuda.h: No such file or directory

include

              ^

compilation terminated. In file included from ./host/src/performdocking.cpp:34:0: ./host/inc/performdocking.h:32:18: fatal error: cuda.h: No such file or directory

include

Following is the last part of the messages during compilation: ....................................................................................................................................................................................................... Building autodock_gpu_128wi ... g++ \ ./host/src/calcenergy.cpp ./host/src/getparameters.cpp ./host/src/main.cpp ./host/src/miscellaneous.cpp ./host/src/performdocking.cpp ./host/src/processgrid.cpp ./host/src/processligand.cpp ./host/src/processresult.cpp ./host/src/setup.cpp \ -std=c++11 -I./common -I./host/inc -I -I./cuda -L -Wl,-rpath=: -DVERSION=\"v1.5-release\" \ kernels.o -lcurand -lcudart \ -o./bin/autodock_gpu_128wi \ -DGPU_DEVICE -DN128WI -O3 In file included from ./host/src/main.cpp:40:0: ./host/inc/performdocking.h:32:18: fatal error: cuda.h: No such file or directory

include

              ^

compilation terminated. In file included from ./host/src/performdocking.cpp:34:0: ./host/inc/performdocking.h:32:18: fatal error: cuda.h: No such file or directory

include

              ^

compilation terminated. make: *** [odock] Error 1 .................................................................................................................................................................

Information to help narrow down the bug

OscarAuAlvarez commented 3 years ago

Dear atillack,

Please forgive me. I compiled your code again and it worked fine.

The problem was that the first time I tried to compile I wrote GPU_INCLUDE_PATH and GPU_LIBRARY_PATH with errors.

Please delete this issue,

Oscar