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 >
