[Pw_forum] q2r.x error

Sharad B. Pillai sbpillai001 at gmail.com
Fri Sep 25 16:00:30 CEST 2015


Hello,

I am using 5.1.1 version of espresso
I performed ph.x calculation and it worked well, but on running q2r.in
file, the following error message is displayed






*At line 142 of file q2r.f90 (unit = 5, file = 'stdin')Fortran runtime
error: End of file*
Following are few lines around line 142 of q2r.f90

IF (ionode) THEN
     OPEN (unit=1, file=TRIM(fildyn)//'0', status='old', form='formatted', &
          iostat=ierr)
     lnogridinfo = ( ierr /= 0 )
     IF (lnogridinfo) THEN
        WRITE (stdout,*)
        WRITE (stdout,*) ' file ',TRIM(fildyn)//'0', ' not found'
        WRITE (stdout,*) ' reading grid info from input'
        READ (5, *) nr1, nr2, nr3
...............................line-142
        READ (5, *) nfile
     ELSE
        WRITE (stdout,'(/,4x," reading grid info from file ",a)') &
                                                          TRIM(fildyn)//'0'
        READ (1, *) nr1, nr2, nr3
        READ (1, *) nfile
        CLOSE (unit=1, status='keep')
     END IF
  ENDIF


Following message is from q2r.out
file $As.dynmat0 not found

Following is my As.dynmat0 file

   6   6   1
   20
   0.000000000000000E+00   0.000000000000000E+00   0.000000000000000E+00
   0.000000000000000E+00   0.192450089729862E+00   0.000000000000000E+00
   0.000000000000000E+00   0.384900179459723E+00   0.000000000000000E+00
   0.000000000000000E+00  -0.577350269189585E+00   0.000000000000000E+00
   0.166666666666667E+00   0.962250448649308E-01   0.000000000000000E+00
   0.166666666666667E+00   0.288675134594792E+00   0.000000000000000E+00
   0.166666666666667E+00   0.481125224324654E+00   0.000000000000000E+00
   0.166666666666667E+00  -0.481125224324654E+00   0.000000000000000E+00
   0.166666666666667E+00  -0.288675134594792E+00   0.000000000000000E+00
   0.166666666666667E+00  -0.962250448649308E-01   0.000000000000000E+00
   0.333333333333333E+00   0.192450089729862E+00   0.000000000000000E+00
   0.333333333333333E+00   0.384900179459723E+00   0.000000000000000E+00
   0.333333333333333E+00   0.577350269189585E+00   0.000000000000000E+00
   0.333333333333333E+00  -0.384900179459723E+00   0.000000000000000E+00
   0.333333333333333E+00  -0.192450089729862E+00   0.000000000000000E+00
   0.333333333333333E+00   0.355761666572514E-16   0.000000000000000E+00
  -0.500000000000000E+00  -0.288675134594792E+00   0.000000000000000E+00
  -0.500000000000000E+00  -0.962250448649308E-01   0.000000000000000E+00
  -0.500000000000000E+00   0.962250448649308E-01   0.000000000000000E+00
  -0.500000000000000E+00  -0.866025403784377E+00   0.000000000000000E+00



Plese kindly guide me.

Thanks


...........................................................
Sharad B. Pillai
Research Student
MSU Baroda
Gujarat
India
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