Dear Jianwei Wei,
the problem is that you mix up different versions of Sies2xsf
in the same directory, notably
subroutine test_ani
appears in the file test_md.f of the old version
and test_ani.f of the new version.
I don't know which other problems might follow.
Try to compile the new version in a clean directory.
Best regards
Andrei Postnikov
Dear Andrei Postnikov:
Thank you very much for your kindly reply. certainly, want compile the
rho2xsf as a standalone code for converting SIESTA results (structure,
charge densities, molecular dynamics, phonons, Fermi surfaces) for
vizualization with XCrySDen .
I have updated the Sies2xsf from the address and copy them to
/Util/Contrib/APostnikov. whem I compile it using make , the system
notes:
ifort -mp1 -O3 -pc80 -prec_div -w -c -o opnout.o opnout.f
ifort -mp1 -O3 -pc80 -prec_div -w -o eig2bxsf eig2bxsf.o inver3.o opnout.o
ifort -mp1 -O3 -pc80 -prec_div -w -o xv2xsf xv2xsf.o opnout.o
ifort -mp1 -O3 -pc80 -prec_div -w -c -o test_ani.o test_ani.f
ifort -mp1 -O3 -pc80 -prec_div -w -o md2axsf md2axsf.o makebox.o
fillbox.o
inver3.o hit.o opnout.o test_ani.o test_md.o wraxsf1.o wraxsf2.o
test_md.o: In function `test_ani':
/home/redsky/tools/siesta-2.0.2/Util/Contrib/APostnikov/test_md.f:88:
multiple definition of `test_ani_'
test_ani.o:test_ani.f:(.text+0x0): first defined here
it is obbiously that the codes have not been compiled, but i have no
idea about what to do. So that I try the ifort -o rho2xsf rho2xsf.f
agin
, the similar error come:
fortcom: Warning: rho2xsf.f, line 75: The STATUS= specifier has the
value
SCRATCH, the FILE= specifier will be ignored in the OPEN statement.
['tmpfil']
open (is1, file='tmpfil',form='formatted',status='scratch')
--^
rho2xsf.f(191): (col. 15) remark: LOOP WAS VECTORIZED.
/tmp/ifort2VxzeF.o: In function `MAIN__':
rho2xsf.f:(.text+0x680): undefined reference to `test_xv_'
rho2xsf.f:(.text+0xa80): undefined reference to `read_xv_'
rho2xsf.f:(.text+0xa95): undefined reference to `inver3_'
rho2xsf.f:(.text+0xacb): undefined reference to `makebox_'
rho2xsf.f:(.text+0xadc): undefined reference to `inver3_'
rho2xsf.f:(.text+0xb7e): undefined reference to `fillbox_'
rho2xsf.f:(.text+0x235e): undefined reference to `intpl04_'
I am node sure whether the error come from the systems envionment
variables,
I still an new user about linux.
Best Regards
Jianwei Wei
