on module

roddur · ‎07-28-2009

Is there any way to check if a module that contains a subroutine is compiled and included correctly in the executable before running the job? I am asking this because, I have declared a module as

[cpp]!Program lm-lib.f	
       module mlms
	CONTAINS

       subroutine lm(oidxdn,opnu,opold,oqnu,oqold,avw,lmx)
      implicit none
! Common blocks:
! --- dynamical memory allocation:
      integer wksize
      parameter(wksize=8000000)
      integer w(wksize)
      common/wkarr/w
! Controls for IO
      integer ishow,ncnt1,ncnt2,mcount
      parameter (ncnt1=1,ncnt2=2,mcount=20)
      character*4 cquit,err,output
      character*8 prgnam
! Parameters for options, structure, basis
      integer nbas,nclass,nl,nlrho,nsp,mmixat
      integer nit,nitat,ndel(3),ltmax(3),ifmt3d
      double precision bound(3,6),origin(3),plat(9,6),alat(2)
      logical switch(31)

! for iterations
      integer niter,mmixpq
      double precision beta,rmsdel,rms2,toleto,wc
! Class parameters
      integer mxclas
      parameter (mxclas=200)
      integer lmx(mxclas),lmxrho(mxclas),nrclas(mxclas),
     .        konfig(0:3,mxclas)
      double precision dq(mxclas),qc(mxclas),qtot(2*mxclas),
     .               ves(2*mxclas),vrmax(2*mxclas),wsr(mxclas),z(mxclas)
      character*4 clabl(mxclas)
! Symmetry group
      integer nsymop,ngen
      double precision symopm(9,48),symopv(3,48)
      character*72 symops(48),gens(48)
! BZ - integration / empty-sphere finder
      integer nkxyz(3),norder,nopts,npts
      double precision emin,eminc,emax,emaxc,range,tolef,width
! Empty-sphere finder
      double precision rmaxes,rmines
      integer nrxyz(3)
! Scaling wsr
      double precision asavol,facvol,gamma,ommax1(3),ommax2(3)
! Structure constant parameters
      integer ialpha,itrans,lmaxw,ndimin,jbasdn,ldn,mdn,nsmesh
      double precision dele,deltr,kap2,kfit,rmaxs,rmaxs2,eps
! Parameters relating to Ewald sums
      integer nkdmx
      double precision as,awald,tolews,vol
! for rhofit
      integer rfout
! for SYML
      integer mxline
      parameter (mxline=99)
      integer nq(mxline),nline
      double precision q1(3,mxline),q2(3,mxline)
      character*1 lab1(mxline),lab2(mxline)
! Local variables, functions and offsets to dynamic arrays
      integer fopn,i,ibas,ic,icalc,iprint,isym(10),j,lunit,len2,mxkp,
     .               nkd,nkg,nkp,npp,nrxc,obeta,oadot0,oalph0,obas,obk,
     .        odlat,oenu,oevrl,oglat,oibk,oiclas,oidmod,oidxdn,onrcls,
     .        opnu,opp,oqnu,osigma,osigm2,otrtab,owk,owtkp,og
      parameter(npp=6)
      double precision avw,avwsr,dovl1(3),dovl2(3),efermi,
     .       qb(9),vmtz
      logical begmom,convrg,lsmall,t,f,lpot,lsymst,lsdm1,nowrit
      character*30 csym(7)
      character*72 name,tit
      parameter(t=.true.,f=.false.)
! External calls
      external avwsr,chkcls,chkdis,chksym,chkwsr,defdr,defi,dscal,fexit,
     .         finits,fopn,icopy,iprint,lunit,ioctrl,allocm,wkinit
      integer isum,ldim,nderiv,neighm,nmesh,ntet,
     .        oadot,oadoto,oalpha,oalpho,ocg,ocy,odmad,odmat,
     .        oeband,oemom,oiax,oidn,oidtet,oindcg,oirr,oixirr,
     .        ojcg,onpr,opold,oqold,orwats,os,osdot,osdm1,osdm1s,
     .        otrad,otral
      double precision detot,ebmax,ebmin,etot,etoto,sumdq,zval
      character*4 cnit
      data prgnam/'LM'/
      data ialpha/0/,ifmt3d/1/,itrans/0/,jbasdn/1/,ldn/0/,lmaxw/8/,
     .     ltmax/2,2,2/, mdn/0/, mmixat/2/, 
     .     mmixpq/1/, nbas/1/, nclass/1/, ndimin/350/,ngen/0/,nit/1/,
     .     nitat/30/,niter/30/,nkdmx/250/,nkxyz/4,4,4/,nl/3/,
     .     nopts /8001/, norder/0/,npts/1001/,nrxc/1/,nrxyz/0,0,0/,
     .     nsp/1/
      data as/.2d1/, beta/.5d0/,dele/.05d0/,deltr/.1d0/, efermi/-.25d0/,
     .     kap2/.0d0/,kfit/0.d0/ ,emax/.2d1/ ,emaxc/.2d1/ ,emin/-.2d1/,
     .     eminc/-.2d1/,eps/.0d0/,facvol/.1d1/,gamma/.0d0/, 
     .     ommax1/.16d0,.18d0,.20d0/,ommax2/.40d0,.45d0,.50d0/,
     .     range/.5d1/  ,rmaxes/.40d1/,
     .     rmaxs/.32d1/,rmaxs2/.35d1/,rmines/.9d0/,rms2/99.9999999d0/,
     .     rmsdel/.1d-4/,tolef/.1d-5/,toleto/.1d-4/,tolews/.1d-5/,
     .     vmtz/-.75d0/,wc/-.1d1/,width/.5d-2/
      data clabl/mxclas*'E'/, cquit/'----'/, csym/7*'undef'/,
     .     err/'ERR '/, gens/'E',47*' '/, output/'LM  '/
      data convrg/f/, switch/t,t,f,t,f,f,f,f,f,t,  t,t,t,f,t,f,f,t,f,f,
     .                       f,f,f,f,t,t,f,f,f,t,  f/

[/cpp]

and then used the module in another file

[cpp]!program lm-leb-end.f
       module mlmend
	use mlms
	CONTAINS

      subroutine lm_end(oidxdn,opnu,opold,oqnu,oqold,avw,lmx)
[/cpp]

and as usual i have not redeclare the variables or data in lm-lib-end. This two are present in a directory MAIN. Then i compiled the code as

[cpp].f.o:
	$(FC) -c $(PREFLAGS) $(FFLAGS) $<
	mv $(*F).o $(*D)
#
.c.o:
	$(CC) $(CCFLAGS) -c $<
	mv $(*F).o $(*D)

irun:lm-lib.o lm-lib-end.o call.o $(lmobj)
	$(FC) $(FFLAGS) $(FPAR) -o $@  $(lmobj) lm-lib.o lm-lib-end.o call.o

lm-lib.o:MAIN/lm-lib.f 	 
	$(FC) -c MAIN/lm-lib.f 
lm-lib-end.o:MAIN/lm-lib-end.f 
	$(FC) -c MAIN/lm-lib-end.f -I/home/rudra/RECURSION_TRIAL/LMTO-A

call.o:call.f90
	$(FC) -c call.f90
[/cpp]

but now i am getting error as

[cpp]$ make
ifort -c MAIN/lm-lib-end.f -I/home/rudra/RECURSION_TRIAL/LMTO-A
MAIN/lm-lib-end.f(188): error #6385: The highest data type rank permitted is INTEGER(KIND=8).   [BEGMOM]
       if (begmom.and.iprint().ge.0) 
-----------^
MAIN/lm-lib-end.f(188): error #6385: The highest data type rank permitted is INTEGER(KIND=8).
       if (begmom.and.iprint().ge.0) 
-----------------^
[/cpp]

and so on. but if i define the variables again in lm-lib-end, then the program is gettin compiled(Result is wrong, ofcourse) can you tell me why?

Steven_L_Intel1 · ‎07-28-2009

You want to add the .mod as an output of the compile of the module and as a dependency on the sources that USE it.

Also, your use of .and. on a LOGICAL is very risky, as the internal representation may not be what you think. If you are going to treat the values as integers, declare them as integers and use IAND.