Dear All, I looked up all threads from 2002 to till date but I couldn't find solution to this (I spent 2 weeks :( ).Also I am a newbie so please bear with me.
I installed QE 5.0.2 parallel version on cluster Intel Sandybridge E5-2670 running at 2.6 GHz OS : Cent OS 6.2 (x86_64) Dev. Kit : Intel Composer_XE_2013. it detects parallel version successfully and i am behind proxy so I manually downloaded the required files and complied. but when i tried to run example01 under PW then it is giving me error below. It runs scf for Si successfully but gives error in band structure calculation .Also I checked output files, for scf job is done completely but no output is there for Si.bands.david.out. PBS JOB id is 296648.yc9.en.yuva.param PBS_NODEFILE is /usr/local/PBS/aux//296648.yc9.en.yuva.param PBS_QUEUE is DDRq NPROCS is 1 /home/external/iitb/priyas/sw/quantum/espresso-5.0.2/PW/examples/example01 : starting This example shows how to use pw.x to calculate the total energy and the band structure of four simple systems: Si, Al, Cu, Ni. executables directory: /home/external/iitb/priyas/sw/quantum/espresso-5.0.2/bin pseudo directory: /home/external/iitb/priyas/sw/quantum/espresso-5.0.2/pseudo temporary directory: /home/external/iitb/priyas/tmp checking that needed directories and files exist... done running pw.x as: /home/external/iitb/priyas/sw/quantum/espresso-5.0.2/bin/pw.x -nband 1 -ntg 1 cleaning /home/external/iitb/priyas/tmp... done running the scf calculation for Si... done running the band-structure calculation for Si...Error condition encountered during test: exit status = 141 Aborting Any help would be highly appreciated Many thanks... Priya -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140312/09191550/attachment.html