[Wien] Tmaker: command not found

Lyudmila Dobysheva lyuka17 at mail.ru
Wed Feb 20 08:35:45 CET 2019


20.02.2019 4:21, Peipei Hao wrote:
> -Also, when I tried to run "init_lapw" with one of those example
> files, similar errors happend with the notification: "$WIENROOT/nn:
> Command not found."

I think you did not make correctly the compilation

> -I was trying to construct my master input file: case.struct with 
> cif2struct/makestruct and to initialize a SCF calculation
> -I could only find a file named "SRC_cif2struct"

There should be exe file cif2struct in the directory $WIENROOT (and nn, 
lapw0, lapw1 and many other). If there is not, go to 
$WIENROOT/SRC_cif2struct and look at file compile.msg.
If it does not exist - Did you make the compilation?
If it exists it should contain something like
******************
rm -f module.o
clean
ifort -c -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io -I/opt
/intel15/composer_xe_2015.1.133/mkl/include module.f
...
ifort -o ./cif2struct  -O1 ... -pthread module.o spacegroup.o 
getlattype.o getsgnum.o getsgname.o  getzz.o structgen.o scan_cif.o 
ciftbx.o hash_funcs.o test_sgname.o scan_in.o
******************
and there should be cif2struct file in the directory, copy it to $WIENROOT.
If something wrong was in compilation you should see this in the 
compile.msg.

> "$WIENROOT/x $WIENROOT/SRC_cif2struct " under the sub-directory where my 
> cif file lies
If you correctly adjust your shell (.bashrc file) you need not write 
$WIENROOT always, the path should be in the shell.

Best wishes
Lyudmila Dobysheva
------------------
Physics-Techn.Institute,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
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