Problems installing Lammps with GPU package with cmake

Date: Fri, 9 Nov 2018 12:42:15 -0500
From: Joaqu?n Manrique <[email protected]...>
To: [email protected]
Subject: [lammps-users] Problems installing Lammps with GPU package
        with cmake
Message-ID:
        <[email protected]...>
Content-Type: text/plain; charset="utf-8"

Dear Lammps users

I am trying to install lammps with the GPU package using CMAKE, the
parameters that i used are

sudo cmake -DBIN2C=yes -D CMAKE_INSTALL_PREFIX=/usr/local/lammps -D
BUILD_MPI=yes -D BUILD_OMP=yes -D CMAKE_C_COMPILER=gcc -D
CMAKE_CXX_COMPILER=g++ -D CMAKE_Fortran_COMPILER=gfortran -D
BUILD_EXE=yes -D BUILD_LIB=no -D BUILD_SHARED_LIBS=no -D BUILD_DOC=yes
-D LAMMPS_MEMALIGN=64 -D INTEL_ARCH=cpu -D FFT=FFTW3 -D FFT_SINGLE=no
-D FFT_PACK=array -D LAMMPS_SIZES=smallbig -D WITH_JPEG=yes -D
WITH_PNG=yes -D WITH_FFMPEG=yes -D PKG_GPU=yes -D GPU_API=cuda -D
GPU_PREC=mixed -D GPU_ARCH=sm_61 -D CUDPP_OPT=yes ../cmake

but when i try to do sudo make i got this error message

[ 0%] Building NVCC cubin file cuda_compile_cubin_generated_lal_pppm_d.cu.cubin
ptxas info : 0 bytes gmem
ptxas info : Compiling entry function 'interp' for 'sm_61'
ptxas info : Function properties for interp
    0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 8704 bytes smem, 448 bytes cmem[0],
2 textures
ptxas info : Compiling entry function 'make_rho' for 'sm_61'
ptxas info : Function properties for make_rho
    0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 50 registers, 5248 bytes smem, 392 bytes cmem[0]
ptxas info : Compiling entry function 'particle_map' for 'sm_61'
ptxas info : Function properties for particle_map
    0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 20 registers, 456 bytes cmem[0], 2 textures
[ 0%] Building NVCC cubin file
cuda_compile_cubin_generated_lal_lj_expand.cu.cubin
ptxas info : 0 bytes gmem
ptxas info : Compiling entry function 'k_lj_expand_fast' for 'sm_61'
ptxas info : Function properties for k_lj_expand_fast
    0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 44 registers, 3892 bytes smem, 408 bytes cmem[0],
1 textures
ptxas info : Compiling entry function 'k_lj_expand' for 'sm_61'
ptxas info : Function properties for k_lj_expand
    0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 20 bytes smem, 416 bytes cmem[0], 1 textures
[ 0%] Generating lj_expand_cubin.h
/bin/sh: 1: ./yes: not found
CMakeFiles/gpu.dir/build.make:61: recipe for target
'lib/gpu/lj_expand_cubin.h' failed
make[2]: *** [lib/gpu/lj_expand_cubin.h] Error 127
make[2]: *** Deleting file 'lib/gpu/lj_expand_cubin.h'
CMakeFiles/Makefile2:67: recipe for target 'CMakeFiles/gpu.dir/all' failed
make[1]: *** [CMakeFiles/gpu.dir/all] Error 2
Makefile:127: recipe for target 'all' failed
make: *** [all] Error 2

P.D: the pc that i'm using is a intel core i7 7700k with an nvidia GTX
1080ti (the drivers are nvidia 410 and cuda 10.0)
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The problem is "-DBIN2C=yes", you need to list the path of the bin2c
executable coming with your Cuda installation there, e.g.:
-DBIN2C=/opt/Cuda/bin/bin2c. But that should only be necessary if
bin2c isn't in your PATH already.

Christoph