[DFTB-Plus-User] “dftb+: command not found”

[Donghui Guo]

Dear Ma and all other DFTB+ users,

Thank you for your kind reply.
First, I entered "dftb" and pressed "TAB" twice but nothing happened.
Here is the files in /dftb+1.1_src/prg_dftb/ directory:

guo at ubuntu:~/dftb/dftb+_1.1_src/prg_dftb$ ll
total 356
drwx------  3 guo guo  4096 2010-08-02 18:01 ./
drwx------ 17 guo guo  4096 2010-07-29 11:34 ../
-rw-------  1 guo guo 93212 2010-07-20 19:37 dftb+.F90
-rw-------  1 guo guo 25001 2010-07-20 19:37 eigenvects.F90
-rw-------  1 guo guo  3519 2010-07-20 19:37 energies.F90
-rw-------  1 guo guo  3941 2010-07-20 19:37 GNUmakefile
-rw-------  1 guo guo 55702 2010-07-20 19:37 initprogram.F90
-rw-------  1 guo guo 11071 2010-07-20 19:37 inputdata_.F90
-rw-------  1 guo guo  9586 2010-07-20 19:37 mainio.F90
-rw-------  1 guo guo  5939 2010-07-20 19:37 Makefile.dep
drwxr-xr-x  3 guo guo 20480 2010-07-29 11:50 _obj_x86_64-linux-ifort/
-rw-------  1 guo guo  6363 2010-07-20 19:37 oldcompat.F90
-rw-------  1 guo guo 98306 2010-07-20 19:37 parser.F90
-rw-------  1 guo guo  3399 2010-07-20 19:37 potentials.F90

Is it means that the program is not compiled correctly? Why can I run "make
test"?

Second, how can I make the directory which contains the executable file
dftb+ in my PATH?

Thank you!

regards,
Guo

Do you make sure that the directory which contains the executable file dftb+
 is in your PATH? As a simple test, you can just enter "dftb" then press
"TAB" twice to see whether the command "dftb+" appears.

On Tue, Aug 3, 2010 at 7:09 PM, ming ma <morning22704 at gmail.com> wrote:

> Hi Donghui,
>
> Do you make sure that the directory which contains the executable file
> dftb+  is in your PATH? As a simple test, you can just enter "dftb" then
> press "TAB" twice to see whether the command "dftb+" appears.
>
> Regards
>
> Ming Ma
>
> 2010/8/3 <dftb-plus-user-request at dftb-plus.info>
>
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>>   1. Ask for detail process on "DFTB+ first_calc" (Donghui Guo)
>>
>>
>> ----------------------------------------------------------------------
>>
>> Message: 1
>> Date: Tue, 3 Aug 2010 15:15:20 +0900
>> From: Donghui Guo <donghuig at gmail.com>
>> Subject: [DFTB-Plus-User] Ask for detail process on "DFTB+ first_calc"
>> To: dftb-plus-user at dftb-plus.info
>> Message-ID:
>>        <AANLkTinwGsXZf3MWfmxpEWTJi2HP0WJbkhF13uOAv-=O at mail.gmail.com>
>> Content-Type: text/plain; charset="iso-8859-1"
>>
>> Dear DFTB+ users,
>>
>> I am totally new on this code and I have some fundamental problems need
>> your
>> help.
>>
>> First, I compiled the program on Ubuntu 10.04 with ifort and it looks
>> fine.
>> I ran "make test" followed "DFTB compiling" and every case is matched.
>> Then I tried to do first calculation by following "DFTB+ first_calc".
>>
>> Second, I made a file by vim named dftb_in.hsd and copy the lines in part
>> 1,
>> from "Geomitry = GenFormat{" to "ParserVsersion = 3 }" into this file. The
>> file is located at "/home/user/dftb/cases/g" and the program is located at
>> "/home/user/dftb/dftb+_1.1_src/prg_dftb".
>>
>> Then, I met problem with 2nd part of manual "Running DFTB+". I don't
>> clearly
>> know the meaning of following:
>> you should make sure that all the other needed files (Slater-Koster files,
>> targets of eventual file inclusions in the HSD input) are at the right
>> place. In our case, only the Slater-Koster files needs to be present, and
>> since we specified them without path, they must be in the same directory
>> as
>> dftb_in.hsd itself. This howto uses Slater-Koster files from the mio-0-1
>> SK-set.
>>
>> I just copied H-H.skf H-O.skf O-H.skf O-O.skf files from mio-0-1 to my
>> working directory (same as dftb_in.hsd) and ran dftb+ in this directory
>> from
>> terminal. The only thing I got was "dftb+: command not found"
>>
>> Could you please tell me how can I resolve it?
>> Thank you in advance.
>> Donghui GUO
>> Tsukuba University, Japan
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>
>
>
> --
> Ming MA
> Dept. Engineering Mechanics
> Tsinghua University
> Beijing 100084, CHINA
> E-mail: morning22704 at gmail.com
>
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