Dear Dr. Tran, This is for nlvdw (optB88_vdw) with Wien2k_18.2.
I encountered the similar error that some one has already reported [1]. error messages [2]. I see lnsmax is already update to 5 in latest Wien2k version. I also tried to increase it upto 6 but it does not solve the problem. I am having mkl version 2013 with fftw3. cell optimization with min_lapw -j "run_lapw -ec 0.00001 -cc 0.0001 -p -fc 1 -i 100 -nlvdw" -----------------------case.in0--------------------- TOT EX_OPTB88 EC_LDA VX_OPTB88 VC_LDA (XC_PBE,XC_PBESOL,XC_WC,XC_MBJ,XC_REVTPSSS) NR2V IFFT (R2V) 90 90 90 2.00 1 min IFFT-parameters, enhancement factor, iprint [1]. https://www.mail-archive.com/[email protected]/msg17712.html [2]. a. running nlvdw in single mode ** nlvdw crashed! 24.875u 0.054s 0:26.00 95.8% 0+0k 0+72io 192pf+0w error: command /home/kcbhamu/Wien2k_18/nlvdwpara nlvdw.def failed > stop error b. cat *error ** Error in Parallel nlvdw ** nlvdw STOPPED at Fri Sep 28 02:04:49 IST 2018 ** check ERROR FILES! c. DSTART ENDS DSTART ENDS DSTART ENDS cat: No match. grep: *scf1*: No such file or directory grep: lapw2*.error: No such file or directory Please let me know what addition information I can provide. Kind regards Bhamu
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