Hello, I have compiled Espresso 5.0.2 with mvapich2, Intel compilers and FFt3 as well from Intel, but when I run the test PW/test, some of them pass and others fail (the majority), and it runs the test "cluster1" it stopped and print the following information on the screen:
cluster1...######################################################################################################################## # FROM IOTK LIBRARY, VERSION 1.2.0 # UNRECOVERABLE ERROR (ierr=2) # ERROR IN: iotk_getline (iotk_scan.f90:947) # CVS Revision: 1.23 # iostat=-1 # ERROR IN: iotk_scan_tag (iotk_scan.f90:593) # CVS Revision: 1.23 # ERROR IN: iotk_scan (iotk_scan.f90:821) # CVS Revision: 1.23 # ERROR IN: iotk_scan_end (iotk_scan.f90:241) # CVS Revision: 1.23 # foundl ######################################################################################################################## I read somewhere that a reason of this could be that my pseudopotentials were not updated. then I overwrote, accidentally, the file N.pbe-kjpaw.UPF by N.pbe-n-kjpaw_psl.0.1.UPF and it worked, but there are some differences between the ref file and my actual output so I wanted to know which is the difference between both files. Thanks in advance. Diego D?vila. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140206/900bf828/attachment.html
