[Wien] Error

Subhasis Panda onnyorup.iit at gmail.com
Sat Jul 7 18:32:23 CEST 2018


Dear Sir,

As suggested by you errors from the compile.msg are as follows.. Kindly
suggest me what to do now to fix it.

rm  -f struk.o variable_fields.o nn.o dirlat.o ord2.o reduce_alloc.o
bvan.o  struk.P variable_fields.P nn.P dirlat.P ord2.P reduce_alloc.P
bvan.P nn.prj dirlat.prj ord2.prj reduce_alloc.prj bvan.prj struk.prj
variable_fields.prj \
    nn.xref *.mod
ifort  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -c struk.f
ifort  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -c variable_fields.f
ifort  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -c nn.f
ifort  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -c dirlat.f
ifort  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -c ord2.f
ifort  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -c reduce_alloc.f
ifort  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -c bvan.f
ifort -o ./nn struk.o variable_fields.o nn.o dirlat.o ord2.o reduce_alloc.o
bvan.o  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03
-AVX  -L/opt/intel/compilers_and_libraries_2018.2.199/linux/mkl/lib/
-pthread -i -static

On Fri, Jul 6, 2018, 3:43 PM Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> The problem clearly says:   nn not found.
>
> Most likely, the installation (compilation) did NOT work properly.
>
> Check for the presence of    /home/anupriya/WIEN2k_17.1/nn
>
> if it does not exist,
> cd SRC_nn; cat compile.msg    and check for errors.
>
>
>
>
> Am 05.07.2018 um 08:36 schrieb Subhasis Panda:
> > Dear All,
> >
> > I have installed Wien2k 17.1 version on a desktop PC having core i7 with
> > ubuntu
> > 16.04 operating system, fortran compiler ifort, math libraries MKL. When
> > I was generating the structure of any material, RMT is not calculated
> > automatically. Again if I am giving RMT manually and during initializing
> > the calculation the following error is found from the STDOUT file.
> > Kindly suggest me what to do.
> >
> >   next is setrmt
> >   next is nn
> > /home/anupriya/WIEN2k_17.1/nn: Command not found.
> > 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
> > error: command   /home/anupriya/WIEN2k_17.1/nn nn.def   failed
> >   n stop error n
> >
> >
> >
> >
> > Thanks & regards
> > Subhasis
> >
> > --
> >
> >
> >
> > Best regards from,
> > ------------------------------------------------------------
> > Dr. Subhasis Panda
> > Assistant Professor
> > Department of Physics
> > National Institute of Technology Silchar
> > Assam, India  - 788010.
> >
> > -------------------------------------------------------------
> >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > SEARCH the MAILING-LIST at:
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> >
>
> --
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
> WWW:
>
> http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------
>
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