Dear Lammps-Users,
I am now trying to use gpu(CUDA) to accelarate lammps, following
http://lammps.sandia.gov/doc/accelerate_gpu.html.
However, in step (a) Build the GPU library,
I can not build GPU library in lammps-**/lib/gpu/
I have tried three distribution packages, but neigher have worked.
I am worried some bug in Lammps or CUDA, or there might be some version problems.
I am so glad if someone can help me.
In the following, I attach
1. Error message
2. Makefile
3. System specification
------1. Error message---------------------------------------------
When I try to build as following,
$ make -f Makefile.linux.mine.mixed
I got the error message below:
nvcc -I/usr/local/cuda/include -DUNIX -O3 -Xptxas -v --use_fast_math -Icudpp_mini -arch=sm_35 -D_SINGLE_DOUBLE --cubin -DNV_KERNEL -o atom.cubin lal_atom.cu
/usr/local/cuda/include/surface_functions.h(134): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(135): error: expected a ";"
--- same errors with different line numbers
/usr/local/cuda/include/surface_functions.h(164): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(228): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(229): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(230): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(231): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(294): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(295): error: expected a ";"
--- same errors with different line numbers
/usr/local/cuda/include/surface_functions.h(393): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(456): error: expected a ";"
/usr/local/cuda/include/surface_functions.h(457): error: expected a ";"
--- same errors with different line numbers
/usr/local/cuda/include/surface_functions.h(485): error: expected a ";"
Error limit reached.
100 errors detected in the compilation of "/tmp/tmpxft_00000ac1_00000000-7_lal_atom.cpp1.ii".
Compilation terminated.
Nvidia.makefile:158: recipe for target 'atom.cubin' failed
make: *** [atom.cubin] Error 4
------2. Makefile---------------------------------------------
Since the GPU card is GeForce GTX Titan (GK110),
CUDA_ARCH is set to be sm_35 following
https://en.wikipedia.org/wiki/CUDA
EXTRAMAKE = Makefile.lammps.standard
CUDA_HOME = /usr/local/cuda
NVCC = nvcc
CUDA_ARCH = -arch=sm_35
# this setting should match LAMMPS Makefile
# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
LMP_INC = -DLAMMPS_SMALLBIG
CUDA_PRECISION = -D_SINGLE_DOUBLE
CUDA_INCLUDE = -I$(CUDA_HOME)/include
CUDA_LIB = -L$(CUDA_HOME)/lib64
CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math
CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK
CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias
BIN_DIR = ./
OBJ_DIR = ./
LIB_DIR = ./
AR = ar
BSH = /bin/sh
CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
include Nvidia.makefile
------3. System specification---------------------------------
System specification
workstation:
Ubuntu 16.04.1 LTS
gcc version 5.4.0
Lammps distribution:
14May16 (stable)
30Jul16 (stable)
20Oct16 (not stable)
(all fail with same error)
Cuda: CUDA Version 8.0.44
nvcc: Cuda compilation tools, release 7.5, V7.5.17
GPU: sudo lshw -C video
*-display
description: VGA compatible controller
product: GK110 [GeForce GTX TITAN]
vendor: NVIDIA Corporation
physical id: 0
bus info: [email protected]...:01:00.0
version: a1
width: 64 bits
clock: 33MHz
capabilities: pm msi pciexpress vga_controller bus_master cap_list rom
configuration: driver=nvidia latency=0
resources: irq:32 memory:f6000000-f6ffffff memory:e8000000-efffffff memory:f0000000-f1ffffff ioport:e000(size=128) memory:f7000000-f707ffff
Sorry for a long post.
Thanks in advance.
Best regards,
Kota Ito