I’ve encountered difficulties with building LAMMPS (31Aug2011) with gpu support:
- Package USER-CUDA fails to install with multiple errors in fft3d_cuda.cpp (please see the attached file “user-cuda errors”)
- Package GPU installs successfully, but when I go to examples/gpu only in.melt_x.x.gpu runs successfully (indeed showing improved productivuty). Rhodo and phosphate examples stops at the line where kspace_style is defined (whichever precision I choose) with ERROR: Invalid kspace style (please see the attached file lammps.log)
Both libgpu.a and liblammpscuda.a compiled successfully. I attach makefiles as well.
My system is:
Intel Core 2 duo + nvidia gtx 480
OpenSuSe 11.4 x86_64
LAMMPS was built using FFTW 3.3, openMPI 1.4.3, gnu compilers v. 4.4.6
Tried both CUDA Toolkit 4.0 and 3.2 (but with the same driver 270.41.19 - from 4.0 version) all SDK samples are working.
nvcc was invoced with parameter --compiler-bindir “path to the folder where gcc-4.4.6 is installed” (as the default ones 4.5.1 are not supported by current CUDA version)
If anybody knows the solution to the problem - I’d like to know it two.
user-cuda errors (5.39 KB)
log.lammps (741 Bytes)
Makefile.gfct (2.41 KB)
[Makefile.common (user-cuda)|attachment](upload://2Q0HDj1eGSQXSx5TmGBIP30qzul.common (us) (3.05 KB)
[Makefile.lammps (user-cuda)|attachment](upload://frDVQ5iyXoPkIjxxXhvcCFl1q9b.lammps (us) (348 Bytes)
[Makefile.fermi (gpu)|attachment](upload://bKkbo1hkTVftkgWjet8hhigmOC2.fermi (gpu) (1.88 KB)
[Makefile.lammps (gpu)|attachment](upload://u4BASC7BcI9l1ocBrQySUU1DFKa.lammps (gp) (170 Bytes)