[Wien] Error

Thu Jul 12 06:55:32 CEST 2018

 Dear sir,

No output is showing after using the command "grep -ie error compile.msg".
This is regarding installation of Wien2k 17.1 version on a desktop PC
having core i7 with ubuntu
16.04 operating system, fortran compiler ifort, math libraries MKL.

I have another problem.
I have successfully installed wien2k.17.1 and boltztrap-1.2.5 in a laptop
with core i5 and ubuntu 16.04 operating system. But while patching
boltztrap-1.2.5 with w2web (with patch_for_wien17.1) I am getting the error
"The w2web are patched now / BoltzTraP not installed, install BoltzTraP
then run this script again".
After giving ". ~/.bashrc" command BoltzTrap is patched with w2web. During
the calculation of Boltztrap properties the following errors are
encountered.
1) In gather_enery step,  sh: 1: gather_energy.pl: not found.
2) In the calculation of Boltzman transport properties step, sh: 1:
x_trans: not found.

Looking for your suggestions..

On Sat, Jul 7, 2018 at 11:02 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> Use "grep -ie error compile.msg"; what you included are not errors
>
> On Sat, Jul 7, 2018, 11:32 Subhasis Panda <onnyorup.iit at gmail.com> wrote:
>
>> 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_lib
>> raries_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
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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
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>>> WWW:
>>> http://www.imc.tuwien.ac.at/tc_blaha----------------------
>>> ---------------------------------------------------
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>>>
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>>> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
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>>>
>>
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> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien at zeus.theochem.tuwien.ac.at/index.html
>
>

-- 

Best regards from,
------------------------------------------------------------
Subhasis Panda
Assistant Professor
Department of Physics
National Institute of Technology Silchar
Assam, India  - 788010.

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