[Wien] Compilation error in IRelast and lapwso

lung Fermin ferminlung at gmail.com
Thu Jan 15 04:03:14 CET 2015


Thanks Prof. Blaha. The error msg in IRelast and lapwso are gone after
modifying the source code.

As I mentioned in the previous email, I noticed some WARNING messages on
the fly when compiling the codes in siteconfig. They were not reported in
the "error" message at the end. I am wondering whether these WARNING would
also affect the calculations. I have checked through the compile.msg in
every SRC_xxx directory. I think that the WARNING is mainly due to the
incompatibility in F77 and F95. For examples, the ASSIGN statement was not
available in F95. I tried to comment in the codes for the lines like
'ASSIGN (2220) to iform1' and replaced iform1 by 2220 in the corresponding
READ/WRITE format. This works fine. However, there are still some other
kind of WARNING which I am not sure how to due with. They are listed at the
end of the email (Sorry that the list is still a bit long even I have tried
to summarize them). Any suggestions would be appreciated.

Thanks.
Fermin

List of WARNING:

-----------------------------------------------------------------

SRC_joint

opt1.f:57.21:

      COMMON /INTNEW/ V,EPS,BEGIN,STEP,PP,DOM,PIMEAN,AA,A0,BB,B0,PI0,G,G1,G2

                     1

Warning: Named COMMON block 'intnew' at (1) shall be of the same size

SRC_lapw1

select.f:233.9:

      DO EI=EA,EB,DDE

         1

Warning: Deleted feature: Loop variable at (1) must be integer

SRC_lapw7

main.frc_tmp_.f:458.32:

            assign 2220 to IFORM

                                1

Warning: Deleted feature: ASSIGN statement at (1)

main.frc_tmp_.f:460.32:

            assign 2230 to IFORM

                                1

Warning: Deleted feature: ASSIGN statement at (1)

main.frc_tmp_.f:667.20:

            WRITE(2,IFORM)IEABS,E

                    1

Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1)

main.frc_tmp_.f:686.20:

            WRITE(2,IFORM)IEABS,E,DATMIN,DATMAX

                    1

Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1)

SRC_lcore

insld.f:21.9:

      ,4HG   /

         1

Warning: Extension: Hollerith constant at (1)



insld.f:20.19:

      DATA TTIRE/4HS   ,4HP*  ,4HP   ,4HD*  ,4HD   ,4HF*  ,4HF   ,4HG*   &

                   1

Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1)

SRC_mini

port.inc:3.22:

    Included at nn.f:9:



        common /port3/touchoffset,modeused,trustrad

                      1

Warning: Padding of 4 bytes required before 'trustrad' in COMMON 'port3' at
(1); reorder elements or use - fno-align-commons



SRC_mixer

RegM2.F:111.12:

         DO DT=DHIGH,DLOW,DSTEP

            1

Warning: Deleted feature: Loop variable at (1) must be integer



TrustStep.F:159.4:

1100            continue

    1

TrustStep.F:266.26:

                GOTO 1100

                          2

Warning: Label at (1) is not in the same block as the GOTO statement at (2)

SRC_nmr

make_alms_tmp_.F:349.18:

               do mj=-jcore,jcore+0.00001d0

                  1

Warning: Deleted feature: Loop variable at (1) must be integer

SRC_structeditor

ludcmp.f:18.59:

         IF (AAMAX.EQ.ZERO) PAUSE 'LUDCMP: SINGULAR MATRIX'

                                                           1

Warning: Deleted feature: PAUSE statement at (1)



pov.f:326.21:

   assign 3 to iform1

                     1

Warning: Deleted feature: ASSIGN statement at (1)

pov.f:327.38:

   if (iatfin.eq.1) assign 1 to iform1

                                      1

Warning: Deleted feature: ASSIGN statement at (1)

pov.f:328.38:

   if (iatfin.eq.2) assign 2 to iform1

                                      1

Warning: Deleted feature: ASSIGN statement at (1)

pov.f:329.38:

   if (iatfin.eq.3) assign 3 to iform1

                                      1

Warning: Deleted feature: ASSIGN statement at (1)



pov.f:351.11:

   write(2,iform1) ' #declare F_atoms = finish {','}'

           1

Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1)

pov.f:354.14:

      write(2,iform2) ' #declare F_mag = finish {','}'



param.inc:6.18:

    Included at spacegroup.f:7:

      common/symm/  ns,ncs,NcSym,nvt,mr6(36,mxsym),rm6(36,mxsym), &

                  1

Warning: Padding of 4 bytes required before 'shiftsg' in COMMON 'symm' at
(1); reorder elements or use -fn o-align-commons



SRC_telnes3/compile.msg

normofradialfunctions.f:53.7:

        ' | = ', F10.8,'< 10^-12')

       1

Warning: Extension: Tab character in format at (1)



SCR_tetra

tetra.f:177.75:

 777       read(108,'(3e19.10,i10,6x,i6)',err=777,end=999) xk,xk,zk,numk,ne

                                                                           1

Warning: Branch at (1) may result in an infinite loop





SRC_wplot

main.F:586.3:

340        READ(unit_vector,IOSTAT=IERR) IE,E,IEABS

   1

main.F:542.32:

        IF(.NOT.KFOUND) GOTO 340

                                2

Warning: Label at (1) is not in the same block as the GOTO statement at (2)
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