gfortran 4.8.1 and dfast

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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cchang
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gfortran 4.8.1 and dfast

#1 Post by cchang » Mon Jul 08, 2013 11:54 pm

Hi,
I need to build VASP 5.2.12 with GCC 4.8.1.
After fixing a couple of issues with makefile.linux_gfortran,

Code: Select all

[cchang@login1?vasp.5.2.12]$?diff?Makefile?makefile.linux_gfortran
52,53c52
<?FC=gfortran?-ffree-form?-ffree-line-length-0?-ff2c?-fno-second-underscore?
<?#FC=/usr/local/gcc-4.6/bin/gfortran46?-ffree-form?-ffree-line-length-0?-ff2c?-fno-second-underscore?
---
>?FC=/usr/local/gcc-4.6/bin/gfortran46?-ffree-form?-ffree-line-length-0?-ff2c?-fno-second-underscore?
75c74
<?#CPP_=fpp?-f_com=no?-free?-w0?$*.F?$*$(SUFFIX)?
---
>?CPP_=fpp?-f_com=no?-free?-w0?$*.F?$*$(SUFFIX)?
98c97
<?FFLAGS?=??-FR?-lowercase
---
>?FFLAGS?=??-FR?-lowercase?-assume?byterecl?
I try "make"ing. The build fails at dfast.f90 with the following:

Code: Select all

gfortran?-ffree-form?-ffree-line-length-0?-ff2c?-fno-second-underscore??-FR?-lowercase?-O3??-c?dfast.f90
dfast.f90:182.10:

??????USE?dfast
??????????1
Error:?'lincom'?of?module?'dfast',?imported?at?(1),?is?also?the?name?of?the?current?program?unit


How do I fix this? The gfortran makefile supplied with the source code appears unusable, at least for GCC 4.8.1.

Thanks
Last edited by cchang on Mon Jul 08, 2013 11:54 pm, edited 1 time in total.

mforti
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gfortran 4.8.1 and dfast

#2 Post by mforti » Sat Sep 14, 2013 12:01 am

i am having the same issue with gfortran 4.7.1. Have you solved this? working on the matter myself.
The only difference is in the debuging message being reported

dfast.f90:155.10:

USE dfast
1
Error: 'lincom' of module 'dfast', imported at (1), is also the name of the current program unit
dfast.f90:601.32:

CALL LINBAS_SLICE(MODE,CF,CF_RESULT,CTRANS,NIN,NPOS,NOUT, NPL, &
1
Warning: Rank mismatch in argument 'cf_result' at (1) (rank-2 and scalar)
dfast.f90:604.35:

CALL LINBAS_SLICE(MODE,CPROF,CPROF_RESULT,CTRANS,NIN,NPOS,NOUT, NPRO, &
1
Warning: Rank mismatch in argument 'cf_result' at (1) (rank-2 and scalar)
make: *** [dfast.o] Error 1
Last edited by mforti on Sat Sep 14, 2013 12:01 am, edited 1 time in total.

mforti
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gfortran 4.8.1 and dfast

#3 Post by mforti » Tue Oct 15, 2013 8:52 pm

Has anyone got any progress on this? according to
http://www.nsc.liu.se/~pla/blog/2011/06/28/vaspcompile/
it seems to be an issue with circular reference into the dfast source code which is buggy. Howeverm ifort 13 seems to be permisive and compiles a vasp executable which seems to work correctly. The alternatives are 1) downgrade to gcc 4.4 or 2) pathc the source code which is not recommendable if you dont know what you are doing.
Last edited by mforti on Tue Oct 15, 2013 8:52 pm, edited 1 time in total.

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