On 08-07-2014 06:42, Filippo Spiga wrote: > Dear Fabricio, > > On Jul 8, 2014, at 12:04 AM, Fabricio Cannini <fcannini at gmail.com> > wrote: >> I'm using 14.06 version of qe-gpu from here [ >> https://github.com/fspiga/QE-GPU/ ] . Strangely, it has no >> 'espresso-5.1' directory nor 'espresso-5.0_GPU-14.06.patch' . Is it >> ok ? > > About espresso 5.0.2 I am afraid it requires a dedicated patch not > available yet. If you want it I can generate it and make it > available. However if you can move to espresso-5.1 then please do > so. > > >> I've tried with espressp 5.1 too, but all patches fail at >> 'Modules/mp.f90' , 'PW/src/pwscf.f90' and 'PW/src/vloc_psi.f90' . > > 14.06 does not require patch for espresso-5.1. Have you tried without > any patch? It should work.
Yes, now it worked! >> I've followed the instructions from the link above, but >> compilation fails. Here's the configure options: >> >> =============================================================== >> ./configure --enable-openmp --with-cuda-dir=/usr/local/cuda-6.0 >> --without-magma --disable-parallel >> ================================================================ > > Is nvcc in PATH? It seems it is not able to locate nvcc compiler. > > I also suggest to add "--enable-cuda" and "--with-gpu-arch=<...>" Oh, sorry for this brain fart, I copied the wrong configure string. The current configure string is: ./configure BLAS_LIBS=-lopenblas MANUAL_DFLAGS="-D__DISABLE_CUDA_ADDUSDENS -D__DISABLE_CUDA_VLOCPSI" --enable-cuda --with-cuda-dir=/usr/local/cuda-6.0/ --with-gpu-arch=sm_35 So, now i'm able to do the following: - compile pw-gpu - compile cp-gpu and neb-gpu using '-D__DISABLE_CUDA_ADDUSDENS -D__DISABLE_CUDA_VLOCPSI' Not yet able: - compile ph-gpu - compile pwall-gpu - compile all-gpu Any one of thess fails with the following messages: "espresso-5.1/PW/src/newd.f90:33: undefined reference to newq_compute_gpu_" "espresso-5.1/Modules/mp.f90:184: undefined reference to initcudaenv_" "espresso-5.1/Modules/mp.f90:213: undefined reference to closecudaenv_" This error is because several makefiles lack the following string in the "LIBOBJS" variable: ../../GPU/Modules/libqemodgpu.a ../../GPU/PW/libpwgpu.a in: PW/src/ PW/tools/ PHonon/PH/ PHonon/Gamma/ PHonon/D3/ PHonon/FD/ What should I do to make sure that this string is inserted in the LIBOBJS variable of all the above makefiles ? TIA, Fabricio
