Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.
Moderators: Global Moderator, Moderator
-
cchang
- Newbie
- Posts: 12
- Joined: Mon Jan 28, 2013 11:22 pm
#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
- Newbie
- Posts: 5
- Joined: Thu Dec 02, 2010 12:40 pm
- License Nr.: 1040
- Location: Argentina
#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
- Newbie
- Posts: 5
- Joined: Thu Dec 02, 2010 12:40 pm
- License Nr.: 1040
- Location: Argentina
#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.