Compile time errors (if any) were: SRC_lapw0/compile.msg:collect2: error: ld returned 1 exit status SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1 SRC_lapw0/compile.msg:make: *** [seq] Error 2 . . . . and compile.msg error is- /usr/bin/ld: cannot find -lxcf03 /usr/bin/ld: cannot find -lxc collect2: error: ld returned 1 exit status Makefile:130: recipe for target 'lapw0' failed make[1]: *** [lapw0] Error 1 make[1]: Leaving directory '/home/ram/WIEN2k/SRC_lapw0' Makefile:119: recipe for target 'seq' failed make: *** [seq] Error 2 make: *** No rule to make target 'complex'. Stop.
On Fri, Aug 3, 2018 at 7:13 AM, Gavin Abo <[email protected]> wrote: > See: https://www.mail-archive.com/[email protected]. > at/msg17212.html > > > On 8/2/2018 9:04 AM, Ramsewak Kashyap wrote: > > > I have update wien2k 18.2 and running the TiC example. Calculation giving > this error > > > next is setrmt > next is nn > STOP NN ENDS > specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax > (about 1.d-5, 20)] > DSTMAX: 20.000000000000000 > iix,iiy,iiz 5 5 5 42.213744999999996 > 42.213744999999996 42.213744999999996 > NAMED ATOM: Ti1 Z changed to IATNR+999 to determine equivalency > NAMED ATOM: C 1 Z changed to IATNR+999 to determine equivalency > > ATOM 1 Ti1 ATOM 2 C 1 > RMT( 1)=2.19000 AND RMT( 2)=1.79000 > SUMS TO 3.98000 LT. NN-DIST= 4.22137 > > ATOM 2 C 1 ATOM 1 Ti1 > RMT( 2)=1.79000 AND RMT( 1)=2.19000 > SUMS TO 3.98000 LT. NN-DIST= 4.22137 > 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w > next is sgroup > > sgroup (20:33:41) 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w > Names of point group: m-3m 4/m -3 2/m Oh > Names of point group: m-3m 4/m -3 2/m Oh > Number and name of space group: 225 (F m -3 m) > next is symmery > > symmetry (20:33:41) SPACE GROUP CONTAINS INVERSION > 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w > next is lstart > SELECT XCPOT: > recommended: PBE [(13) GGA of Perdew-Burke-Ernzerhof 96] > LDA [( 5)] > WC [(11) GGA of Wu-Cohen 2006] > PBESOL [(19) GGA of Perdew etal. 2008] > SELECT ENERGY to separate core and valence states: > recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere) > ALTERNATIVELY: specify charge localization (between 0.97 and 1.0) to select > core state > Note: The following floating-point exceptions are signalling: > IEEE_UNDERFLOW_FLAG IEEE_DENORMAL > STOP LSTART ENDS > > inputfiles prepared (20:33:41) > inputfiles prepared > next is kgen > STOP KGEN ENDS > NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G) > length of reciprocal lattice vectors: 1.289 1.289 1.289 10.000 > 10.000 10.000 > 47 k-points generated, ndiv= 10 10 10 > next is dstart > > dstart -p (20:33:42) running dstart in single mode > dstart: error while loading shared libraries: libopenblas.so.0: cannot open > shared object file: No such file or directory > 0.004u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w > error: command /home/ram/WIEN2k/dstartpara dstart.def failed > n stop error n > > -- > Ramsewak Kashyap > Saha Institute of Nuclear Physics > 9473811023 > > > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > [email protected]/index.html > > -- Ramsewak Kashyap Saha Institute of Nuclear Physics 9473811023
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
