[gmx-users] GPU job failed

[Albert]

Hello,

I am trying to run Gromacs with the following command line:


  mpirun -np 4 gmx_mpi mdrun -v -g 7.log -s 7.tpr -x 7.xtc -c 7.gro -e 
7.edr -plumed plumed.dat -ntomp 2 -gpu_id 0123

but it always failed with the following messages:

Running on 1 node with total 24 cores, 48 logical cores, 4 compatible GPUs
Hardware detected on host cudaC.europe.actelion.com (the node of MPI 
rank 0):
   CPU info:
     Vendor: GenuineIntel
     Brand:  Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz
     SIMD instructions most likely to fit this hardware: AVX2_256
     SIMD instructions selected at GROMACS compile time: AVX2_256
   GPU info:
     Number of GPUs detected: 4
     #0: NVIDIA GeForce GTX TITAN X, compute cap.: 5.2, ECC:  no, stat: 
compatible
     #1: NVIDIA GeForce GTX TITAN X, compute cap.: 5.2, ECC:  no, stat: 
compatible
     #2: NVIDIA GeForce GTX TITAN X, compute cap.: 5.2, ECC:  no, stat: 
compatible
     #3: NVIDIA GeForce GTX TITAN X, compute cap.: 5.2, ECC:  no, stat: 
compatible

Reading file 7.tpr, VERSION 5.1.3 (single precision)
Changing nstlist from 20 to 40, rlist from 1.02 to 1.08

Using 4 MPI processes
Using 2 OpenMP threads per MPI process

On host cudaC.europe.actelion.com 4 compatible GPUs are present, with 
IDs 0,1,2,3
On host cudaC.europe.actelion.com 4 GPUs auto-selected for this run.
Mapping of GPU IDs to the 4 PP ranks in this node: 0,1,2,3


-------------------------------------------------------
Program gmx mdrun, VERSION 5.1.3
Source code file: 
/home/albert/Downloads/gromacs/gromacs-5.1.3/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu, 
line: 403

Fatal error:
cudaCreateTextureObject on nbfp_texobj failed: invalid argument

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------

Does anybody have any idea what's happening?

THX a lot.