hum.... Right now I cannot open the readwf.f file to check in more details. However do you have any ways to compile readwf.f it with gfortran? Did you generate the WFS file in the same machine you trying to use readwf.f? What is the version of ifort you are using?
best CGRocha On 1 December 2011 17:53, Yuting Li <[email protected]> wrote: > Hi, CGRocha: > > Thanks a lot for your reply. > > Yes, I did. And I am sure it can open the .WFS file, but it just can not > read it... > > What I did was adding a ling in readwf.f: open (5, file='input.dat', > status='old'). It worked before, but suddenly it did not work.. > > And I also tried to use the original readwf.f file, and run it as: ifort > readwf.f < input.dat, this time, these is no error message, but the job just > stuck, and never finish.... > > I really do not know what is wrong at this point... > > Best > > Yuting > > On Thu, Dec 1, 2011 at 1:44 AM, Gomes Rocha <[email protected]> wrote: >> >> Hello, >> >> did you create a short input file containing these lines: >> >> <system_label>.WFS (or simply WFS if you converted the WFSX file into WFS) >> name of the output file >> 0.0001 (a small number) >> >> and then feed the code with >> >> readwf < readwf.inp >> >> best >> >> CGRocha >> >> >> On 1 December 2011 00:51, Yuting Li <[email protected]> wrote: >> > Hi, all: >> > >> > Sorry for bothering. >> > >> > Right now I am having problem using readwf.f file which is provided by >> > SIESTA to read .WFS file containing the information about the >> > wavefunctions >> > of the system. >> > >> > I used ifort compiler to compile readwf.f and run it, it worked >> > perfectly >> > before. But this time, it has error information when I try to run it: >> > "forrtl: severe (39): error during read, unit 10..." >> > And I also tried the code wfs2wfsx.f file, it does not work either. >> > >> > I am really confused right now, since it worked well before, and >> > suddenly it >> > dose not work. If someone can help me out, I'll really appreciate that. >> > >> > Best >> > >> > Yuting > >
