[Pw_forum] QE-GPU compilation problems
igirotto at ictp.it
Tue Sep 23 14:27:12 CEST 2014
from the error message I believe the memory of your GPU is simply not
capable enough to run such simulation.
Indeed, it fails during an operation of allocation on the GPU memory.
On 23/09/2014 13:05, Uri Argaman wrote:
> Hi again Mr. Spiga, thanks for the reply.
> I was able to compile with your help. What I did was:
> 1. configure the main QE 5.1 with --enable-openmp and --disable-parallel.
> 2. make all the QE 5.1
> 3. recompile BLAS with -fPIC
> 4. configure the GPU (from the git master branch) with --enable-openmp
> --disable-parallel --enable-cuda --with-gpu-arch=sm_30
> --with-cuda-dir=/usr/local/cuda-6.5 --with-phigemm --without-magma
> 5. and make -f Makefile.gpu all-gpu
> When i try to run pw-gpu, ph-gpu or neb-gpu I get the following error:
> [vloc_psi_k_cuda_v1.cu:171 <http://vloc_psi_k_cuda_v1.cu:171>]
> Allocation of GPU resources for the plan failed! Program exits...
> Error condition encountered during test: exit status = 1
> The cp-gpu is working. I checked during the run with nvidia-smi and it
> was using the GPU. Also the samples which come with CUDA work.
> Maybe you have an idea about this error.
> Thanks in advance and have a nice holiday,
> Uri Argaman
> Ben-Gurion University
> Date: Mon, 22 Sep 2014 23:49:23 +0800
> From: Filippo Spiga <spiga.filippo at gmail.com
> <mailto:spiga.filippo at gmail.com>>
> Subject: Re: [Pw_forum] QE-GPU compilation problems
> To: PWSCF Forum <pw_forum at pwscf.org <mailto:pw_forum at pwscf.org>>
> Message-ID: <4925EFBE-FF35-4671-9310-F74CABF15719 at gmail.com
> <mailto:4925EFBE-FF35-4671-9310-F74CABF15719 at gmail.com>>
> Content-Type: text/plain; charset=utf-8
> Dear Uri,
> On Sep 22, 2014, at 10:17 PM, Uri Argaman <argamanu at post.bgu.ac.il
> <mailto:argamanu at post.bgu.ac.il>> wrote:
> > I tried recompiling BLAS with -fPIC and after that it seems to
> be able to compile pw-gpu, neb-gpu, cp-gpu, although it doesn't
> put pw.x, neb.x etc in the bin directory, but trying to compile
> ph-gpu gives the following error:
> Ok, that missing flag is a case the configure should handle. I
> will fix this. I have no machine with GCC 4.8, I have to upgrade
> one and do some testing.
> About "pw.x" or "neb.x", QE-GPU makefile does not create them. If
> you need the CPU-only executable first run the QE configure in a
> "standard way" then run the QE-GPU one. In this way you get both
> type of executable (but yes, you need to do twice the procedure).
> Speaking about ph-gpu.x, this is a problem that has been already
> fixed in the git master branch. Try to checkout the latest git
> version of QE-GPU or please wait me to finalize a new QE-GPU
> version. As this point, without pushing too much in release new
> functionalities, I can create just one new minor version with a
> few important bug fixes related to the configure and makefile.
> Mr. Filippo SPIGA, M.Sc.
> http://filippospiga.info ~ skype: filippo.spiga
> ?Nobody will drive us out of Cantor's paradise.? ~ David Hilbert
> Pw_forum mailing list
> Pw_forum at pwscf.org
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