Hi I have recently tried to install quantum espresso onto rocks cluster 5.4.3 (x86_64)
using root I tried the installation in /share/apps/espresso-4.5.2 when executed ./configure --prefix=/share/apps/espresso-4.5.2 was successful I found that the configuration searched for some files in /opt/intel/mkl/ (this is not present on the cluster) for the libraries it used default ones provided with QE i succeeded with make all then ls bin/*x listed all the files in the bin directory so i executed: cd tests followed by ./check-pw.x.j (getting executed only by root not by user; IS THIS CORRECT) I am receiving the following error: Checking atom...passed Checking atom-lsda...passed Checking atom-pbe...passed Checking atom-sigmapbe...passed Checking berry...passed Checking berry, step 2 ...######################################################################################################################## # FROM IOTK LIBRARY, VERSION 1.2.0 # UNRECOVERABLE ERROR (ierr=1) # ERROR IN: iotk_scan_end (iotk_scan.f90:241) # CVS Revision: 1.23 # foundl # ERROR IN: iotk_close_read (iotk_files.f90:746) # CVS Revision: 1.20 ######################################################################################################################## -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 0 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. -------------------------------------------------------------------------- FAILED with error condition! Input: berry.in2, Output: berry.out2, Reference: berry.ref2 Aborting Please help me Thanks Raghuvir
