[Wien] mpi compilation problem
cesar
cesar at unizar.es
Fri Dec 23 15:47:17 CET 2016
Hi,
I'm having a problem to get WIEN2k_16 installed.
I can compile wien2k_14.2 perfectly but wien2k_16 is impossible (LIBXC
and ELPA will not be included for now).
The problem seems related with mpi versions for lapw1 and lapwso :
seclr4.o: In function `seclr4_':
seclr4_tmp_.F:(.text+0x981): undefined reference to `pdsyevr_'
seclr4_tmp_.F:(.text+0x1330): undefined reference to `pdsyevr_'
make[1]: *** [lapw1_mpi] Error 1
make[1]: Leaving directory `/home/wien2k/wien2k_16/SRC_lapw1'
make: *** [rp] Error 2
hmsec.o: In function `hmsec_':
hmsec.F:(.text+0x332c): undefined reference to `pzheevr_'
hmsec.F:(.text+0x3aa5): undefined reference to `pzheevr_'
make[1]: *** [lapwso_mpi] Error 1
make[1]: Leaving directory `/home/wien2k/wien2k_16/SRC_lapwso'
make: *** [para] Error 2
I'm using the old : openmpi 1.6 and composerxe-2011.2.137.
For now, I don't like so much to the idea of updating ...
Are there any other way to get the wien2k 16 ?
Thanks in advance.
César
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