[Wien] Wien2k parallel compilation
Sergio Yanuen Rodriguez
srodriguez at physics.tamu.edu
Wed Aug 13 21:08:55 CEST 2008
Dear wien2k users:
I compiled Wien2k in parallel a few days ago on a intel core2quad
processor with fedora 8 and 8 GB in RAM.
My software is:
Kernel version 2.6.25
gcc version 4.1.2
Intel Fortran compiler 10.1.015
Intel MKL 10.0.1.014
mvapich 1.0.1
WIEN2k_08.2
I ran the TiC example in serial mode and it worked fine, but now I am
trying a more complicated system Al20V2La, but it is giving me the
following error:
Calculating Al20V2La in /root/Al20V2La
on dhcp16.physics.tamu.edu with PID 23607
start (Wed Aug 13 13:50:51 EDT 2008) with lapw0 (40/99 to go)
cycle 1 (Wed Aug 13 13:50:51 EDT 2008) (40/99 to go)
> lapw0 (13:50:51) 66.395u 13.483s 1:19.90 99.9% 0+0k 0+2760io 0pf+0w
> lapw1 (13:52:11)
MKL func load error: /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_vml_mc.so:
undefined symbol: vmlGetErrorCallBack
3.220u 0.151s 0:03.37 100.0% 0+0k 0+1920io 0pf+0w
error: command /root/WIEN/lapw1 lapw1.def failed
> stop error
Does anyone have an idea of what is going on?
Thank you for your help
Sergio Y. Rodriguez
Physics Department
Texas A&M University
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