Hi QE users, I am getting the following error message when running the pp.x calculation with *iflag=3* and *output_format=7*:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine chdens (1): incompatible iflag/output_format %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 8 in communicator MPI_COMM_WORLD with errorcode 1. NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. I have been searching on internet a way to work around this but have not found any yet. Could you please help me in sorting this out I am using *Quantum Espresso 6.1.0* My pp.x is the following: &inputpp prefix = '$PREFIX', outdir = '/mnt/lustre/users/WORK_DIR', filplot = '$PREFIX.rho3dgnu', plot_num = 0, / &plot nfile = 1, filepp(1) = '$PREFIX.rho3dgnu', weight(1) = 1.0, iflag = 3, output_format = 7, fileout = '$PREFIX.rho3dgnu.dat', e1(1)=1.0, e1(2)=0.0, e1(3)=0.0, e2(1)=0.0, e2(2)=1.0, e2(3)=0.0, e3(1)=0.0, e3(2)=0.0, e3(3)=1.0, x0(1)=0.0, x0(2)=0.0, x0(3)=0.0 / Thank you Pacome *___**_____________* Pacome NGUIMEYA Ph.D. Candidate Computational Condensed Matter Physics University of Cape Town (UCT), South Africa *“Be Yourself; everyone else is already taken.” Oscar Wilde*
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