Dear all dftb-plus users,<br><br>How are you? I am a new user on
dftb-plus. When compling dftb-plus, I came across a problem. The
dftb-plus cannot be complied successfully. The error report, which
appears after invoking make, is following (Those above the red-marked
error are exactly the same as the howto says):<br>
<br>make[1]: Entering directory `/para3/dsong/dftb+_1.0.1_src/<div id=":58" class="ii gt">prg_dftb/_obj_i686-linux-ifort'<br>echo "" > _dependencies<br>for dep in /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_common/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_dftb/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_geoopt/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_io/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_math/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_md/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_mixer/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_type/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../includes/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../ext_xmlf90/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/Makefile.dep /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_math/Makefile.local; do cpp -traditional -DDEBUG=0 $dep >> _dependencies; done<br>
make[1]: Leaving directory `/para3/dsong/dftb+_1.0.1_src/prg_dftb/_obj_i686-linux-ifort'<br>make[1]: Entering directory `/para3/dsong/dftb+_1.0.1_src/prg_dftb/_obj_i686-linux-ifort'<br>cpp -traditional -DDEBUG=0 -I/para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_common/ -I/para3/dsong/dftb+_1.0.1_src/prg_dftb/../includes /para3/dsong/dftb+_1.0.1_src/prg_dftb/../lib_common/allocate.F90 | /para3/dsong/dftb+_1.0.1_src/prg_dftb/../utils/fpp/fpp.sh nocntln > allocate.f90<br>
ifort -O2 -xW -ip -o allocate.o -c allocate.f90<br><font size="4"><b style="color: rgb(204, 0, 0);">make[1]: ifort: Command not found</b></font><br>make[1]: *** [allocate.o] Error 127<br>rm allocate.f90<br>make[1]: Leaving directory `/para3/dsong/dftb+_1.0.1_src/prg_dftb/_obj_i686-linux-ifort'<br>
<font style="color: rgb(0, 51, 0);" size="4"><b>make: *** [_obj_i686-linux-ifort] Error 2</b></font><br><br>Here is what I have done to complie dftb-plus:<br><br>Firstly,
I unpacked the package "dftb-plus_1.0.1_src". After finding that
make.i686-linux-ifort exists in the sysmakes, I copied
Makefile.user.template to Makefile.user. <br>
I modified it as following:<br><br>## Set alternative path for the autotest directory<br>#PRGDFTB_TESTDIR = $(ROOT)/../autotest<br><br>## Set alternative file containing the name of the tests to run<br>#PRGDFTB_TESTFILE = $(PRGDFTB_TESTDIR)/tests<br>
<br>## Change directory, where the _obj* directory for the object files is created<br>#OBJDIR_PARENT =<br><br>## Change suffix after '_obj' for the object directory name<br>#OBJDIR_SUFFIX = _i686-linux-ifort<br><br>
## Set directory, where binary should be copied when issuing 'make install'<br>#INSTALLDIR = .<br><br><br>## Uncomment to keep intermediate files in OBJDIR (for debug only!)<br>#.PRECIOUS: %.f90 %.F %.f %.c<br><br>
Then I entered prg_dftb and typed "make distclean" and "rm -rf
./_obj_i686-linux-ifort" shows. Finally, I typed "make", the error
report presented above appears. <br><br>Is
there anything wrong I did to compile dftb-plus? And how can I compile
it successfully? This email may be a liitle long. Thank you very much
for your time reading it and thank you very much for your great help! I
am grateful for any answer to it!<br>
<br>Best wishes!<br><br>Yours sincerely, <br>Duo Song</div><br clear="all"><br>-- <br>SONG Duo<br>Undergraduate Student<br><br>Department of Materials Science and Engineering<br>University of Science and Technology of China<br>