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-boun...@zeus.theochem.tuwien.ac.at> on behalf of Peipei Hao <peipei....@colorado.edu> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Date: Tuesday, February 19, 2019 at 5:22 PM To: "wien@zeus.theochem.tuwien.ac.at" <wien@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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