Dear Prof Peter and other expert user I installed recent Wien2k version on a SGE resource manager system and job file is take from FAQs as such snd running cases.
1. In the job.out file I am getting below error message: ************** LAPW2 END SUMPARA END CORE END CORE END MIXER END error: commlib error: got select error (No route to host) error: executing task of job 53426 failed: failed sending task to execd@compute-15-21: can't find connection [priolkar_gu@k2 ZnCr2O4]$ 2. In the job.err file the followng warning message I am getting very often: compute-11-13:14.0.Received 1 out-of-context eager message(s) from stray process PID=31840 running on host 172.16.4.58 (LID 0x94, ptype=0x1, subop=0x22, elapsed=0.017s) (err=49) compute-11-13:10.0.Received 1 out-of-context eager message(s) from stray process PID=27582 running on host 172.16.4.145 (LID 0x40, ptype=0x1, subop=0x22, elapsed=0.028s) (err=49) compute-11-13:14.0.Received 1 out-of-context eager message(s) from stray process PID=27591 running on host 172.16.4.145 (LID 0x40, ptype=0x1, subop=0x22, elapsed=0.028s) (err=49) System specifications: sge cluster (linuxifc) with many nodes with each node having 16 core and each core has 4GB RAM (~2GB/ processor), 40 Gbps Infiniband interconnect. I used "mpiifort" and "mpiicc" compiler with scalapck, blas, fftd3 and blacs library (without ELPA and LIBXC-3.0.0). Does ", *40* Gbps Infiniband interconnect" is causing problem? Also, How to change the following variable in the job file (for 16 core on each node): set jobs_per_node=4 setenv OMP_NUM_THREADS 1 Does above number depends on number of k-points ? Any kind of solution would make my life easy and reply would be highly appreciated. Regards Bhamu
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