Re: [QE-users] Installation verification

2019-04-30 Thread Paolo Giannozzi
On Tue, Apr 30, 2019 at 8:23 PM Mahmood Naderan wrote: >From this line > > As of version 3.0.0, the "sm" BTL is no longer available in Open MPI. > > I think that QE is using a feature from OpenMPI which is not available in > Openmpi-4. Do you confirm that? > no idea, but it seems to me very

Re: [QE-users] Installation verification

2019-04-30 Thread Mahmood Naderan
I think I did all things correctly. In order to override the default mpirun (which is 2.0.0) I ran: # export PATH=/usr/lib64/qt-3.3/bin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/share/apps/softwares/openmpi-4.0.1/bin # export LD_LIBRARY_PATH=/share/apps/softwares/openmpi-4.0.1/lib #

Re: [QE-users] Installation verification

2019-04-30 Thread Paolo Giannozzi
The MPI run-time environment (e.g. mpirun) must be consistent with the MPI libraries you are linking. Be very careful when setting your PATH, LIBPATH, etc. environment variables. They must be the same when you configure, compile, and run. Paolo On Mon, Apr 29, 2019 at 3:07 PM Mahmood Naderan

[QE-users] Installation verification

2019-04-29 Thread Mahmood Naderan
Hi I want to know if I have correctly built qe with openmpi-4.0. So, I ran the following command and got this error [root@rocks7 q-e-qe-6.4]# ./configure --prefix=/share/apps/softwares/q-e-qe-6.4 MPIF90=/share/apps/softwares/openmpi-4.0.1/bin/mpif90 ... [root@rocks7 q-e-qe-6.4]# make all ...