Re: [QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU

2021-10-08 Thread Anson Thomas
Yes, this works. Thank you so much. On Fri, Oct 8, 2021 at 9:41 PM Pietro Bonfa' wrote: > Does this work? > > export OMP_NUM_THREADS=1 > mpirun -np 1 pw.x -inp input.in > > > Best, > Pietro > > On 10/8/21 18:08, Anson Thomas wrote: > > Thanks for the suggestion. > > I exported OMP_NUM_THREADS=

Re: [QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU

2021-10-08 Thread Anson Thomas
Thanks for the suggestion. I exported OMP_NUM_THREADS= 1 to my bashrc (I am not using a script to run QE; doing it directly using mpirun pw.x -inp input.in > output). However, it is still giving the same error from addusdens_gpu : error # 1 cannot allocate aux2_d I even tried

Re: [QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU

2021-10-08 Thread Pietro Bonfa'
Does this work? export OMP_NUM_THREADS=1 mpirun -np 1 pw.x -inp input.in Best, Pietro On 10/8/21 18:08, Anson Thomas wrote: Thanks for the suggestion. I exported OMP_NUM_THREADS= 1 to my bashrc (I am not using a script to run QE; doing it directly using mpirun pw.x -inp input.in

Re: [QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU

2021-10-08 Thread Pietro Bonfa'
Dear Anson, I guess there is something wrong in your scripts. Look at the following lines taken from your email: Parallel version (MPI & OpenMP), running on 784 processor cores Number of MPI processes:28 Threads/MPI process:28 MPI processes