errmsg.f90

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c NLSL Version 1.9.0 beta 2/3/15
c----------------------------------------------------------------------
c                    =========================
c                          module ERRMSG
c                    =========================
c
c Contains text for error messages and definitions of symbols used
c to define error message numbers. Errors after ZEROB0=16 are defined
c as fatal, and will cause the calculation to halt.
c
c This module replaces errmsg.inc and the second half of nlstxt.f.
c
c For eprerr, the definitions of the symbols are as follows:
c
c ZEROIN2     Zero nuclear spin assumed
c POSB0       Positive B0 assumed
c BADHIFLD    High-field approx. may not apply
c BADJMP      Nonzero potential with jump/free: ipdf set to 0
c BADAV       Zero potential with aniso. viscos.: ipdf set to 0
c BADDJ       Discrete jumps with aniso. viscos.: ipdf set 0
c LEMXHI      lemx must be 48 or less with potenti
c BSSADJ      Basis set adjusted to (iii,iii,iii,iii,iii,iii,ii)
c NSTEPHI     NSTEP too large: adjusted to iiiii
c CGTOLHI     CGTOL too small: adjusted to xxxxxxxxx
c SHIFTHI     SHIFTR too small: adjusted to xxxxxxxxx
c NOCONVRG    CG did not converge after iiiii steps
c NOALPHAM    Angle alm not needed with axial g-matrix
c NOALPHAD    Angle ald not needed with axial diffusion tensor
c ZEROB0      Zero B0
c ZEROG       Zero g-tensor element
c TDGERR      Error in tridiagonal matrix storage
c MTXBIG      Too many matrix elements
c DIMBIG      Matrix dimension too large
c MTXHLT      User halt during matrix calculation
c CGHLT       User halt during CG tridiagonalization
c TDGBIG      Too many tridiagonal matrix elements
c NOMIN       Bracketing routine (search command) did not find a minimum
c ZERONFLD    NFIELD is zero (no points in spectrum)
c ZRORANGE    RANGE is zero 
c 
c For minerr, the meanings of the INFO index values are found in the
c comments at the beginning of lmnls.f.
c
c----------------------------------------------------------------------

      module errmsg
      implicit none

      integer, parameter :: fatal=16,neperr=26,nmnerr=12
c
      integer, parameter :: zeroin2=1,posb0=2,
     #            badhifld=3,badjmp=4,badav=5,baddj=6,
     #            lemxhi=7,bssadj=8,nstephi=9,cgtolhi=10,shifthi=11,
     #            noconvrg=12,noalpham=13,noalphad=14,badbess=15,
     #            zerob0=16,zerog=17,tdgerr=18,mtxbig=19,
     #            dimbig=20,mtxhlt=21,cghlt=22,tdgbig=23,nomin=24,
     #            zeronfld=25,zrorange=26

      character*50, dimension(NEPERR), save ::
     #  eprerr =
     1  (/ 'Zero nuclear spin assumed                         ' ,
     2     'Positive B0 assumed                               ' ,
     3     'High-field approx. may not apply                  ' ,
     4     'Nonzero potential with jump/free: ipdf set to 0   ' ,
     5     'Zero potential with aniso. viscos.: ipdf set to 0 ' ,
     6     'Discrete jumps with aniso. viscos.: ipdf set 0    ' ,
     7     'lemx must be 48 or less with potential            ' ,
     8     'Basis set adjusted to (iii,iii,iii,iii,iii,iii,ii)' ,
     9     'NSTEP too large: adjusted to iiiii                ' ,
     a     'CGTOL too small: adjusted to xxxxxxxxx            ' ,
     1     'SHIFTR too small: adjusted to xxxxxxxxx           ' ,
     2     'CG did not converge after iiiii steps             ' ,
     3     'Angle alpham not needed w/ axial g-matrix         ' ,
     4     'Angle alphad not needed w/ axial diffusion tensor ' ,
     5     'Taylor series for Bessel function did not converge' ,
     6     'Zero B0                                           ' ,
     7     'Zero g-tensor element                             ' ,
     8     'Error in tridiagonal matrix storage               ' ,
     9     'Too many matrix elements                          ' ,
     a     'Matrix dimension too large                        ' ,
     1     'User halt during matrix calculation               ' ,
     2     'User halt during CG tridiagonalization            ' ,
     3     'Too many tridiagonal matrix elements              ' ,
     4     'Bracketing did not find minimum within step bound ' ,
     5     'Number of points in spectrum is zero              ' ,
     6     'Field range of spectrum is zero                   ' /)
c
      character*32, dimension(0:NMNERR-1), save ::
     #  minerr =  (/ 'Bad input parameters            ' ,
     1               'Chi-squared convergence         ' ,
     2               'X vector convergence            ' ,
     3               'Chi-squared/X vector convergence' ,
     4               'Gradient convergence            ' ,
     5               'Max function evaluations reached' ,
     6               'Max iterations reached          ' ,
     7               'FTOL too small                  ' ,
     8               'XTOL too small                  ' ,
     9               'Zero Jacobian or GTOL too small ' ,
     a               'Terminated internally           ' ,
     1               'Single calculation completed    ' /)

      end module errmsg