[Wien] Tmaker: command not found

[Zhu, Jianxin]

In the Wien root directory, there shall be a command called cif2struct.

Jianxin

#############################
Jian-Xin Zhu, Ph.D
Theoretical Division, MS B262
Los Alamos National Laboratory
Los Alamos, New Mexico 87545
Phone: (505) 667 2363 (T-4);
(505) 667 6602 (CINT)
Fax: (505) 665 4063
Email: jxzhu.at.lanl.gov
URL: http://cint.lanl.gov
##############################

From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Peipei Hao <Peipei.Hao at colorado.edu>
Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Date: Tuesday, February 19, 2019 at 5:22 PM
To: "wien at zeus.theochem.tuwien.ac.at" <wien at zeus.theochem.tuwien.ac.at>
Subject: [Wien] Tmaker: command not found

Hi,

-I was running WIEN2k_18.2 in a logging in node of school cluster, with the ifort compiler offered under the intel MPI frame.

-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" and so I ran "$WIENROOT/x $WIENROOT/SRC_cif2struct " under the sub-directory where my cif file lies, but only got an empty file named: case.struct;

-Then I tried to construct the struct file with "makestruct" by running "$WIENROOT/makestruct" under the sub-directory, and typing all the structure info required, then if said "Tmaker: command not found" following
"Now, 'datastruct' file is ready.
We Run 'Tmaker' for making WIEN2k struct file."
After that, again I got an empty file named: init.struct.

-I was doubting whether this problem was caused by an inconsistency between the naming of the related programs under the dir:$WIENROOT and the codes in those executable files, since there is only a directory called "SRC_Tmaker" rather than "Tmaker", which is similar to the case of the "SRC_cif2struct" files. Or is that possibly caused by some error I made in the original configuration?

-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."

Thanks,
Peipei
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