install abinit 7.2.2 on macbook pro

option, parallelism,...

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lorenzodona
Posts: 36
Joined: Tue May 14, 2013 12:04 am

install abinit 7.2.2 on macbook pro

Post by lorenzodona » Tue Jun 11, 2013 12:49 pm

Good morning excuse me if I bother you but can you help to install abinit 7.2.2 on mac book pro snowleopar 10.6.8.
I use :gnu version 4.8
64 bit
I'm not able to install abinit
when I type ./configure CPP=/usr/bin/cpp
configure it' ok but when I type make, I find a lots of:

libtool: ignoring unknown tag F77
libtool: compile: gfortran -ffree-form -g -ffree-line-length-none -O2 -mtune=native -march=native -g -O2 -I/Users/lorenzodona/Desktop/abinit-7.2.2/fallbacks/exports/include -c libxc.f90 -o libxc_la-libxc.o
Warning: Nonexistent include directory "/Users/lorenzodona/Desktop/abinit-7.2.2/fallbacks/exports/include"
libxc.f90:30:

module xc_f90_ ## types_m
1
Error: Unclassifiable statement at (1)
libxc.f90:34.17:

integer, public, parameter :: xc_f90_kind = selected_real_kind(14)
1
Error: PUBLIC attribute at (1) is not allowed outside of the specification part of a module
libxc.f90:37.2:

type xc_f90_ ## pointer_t
1
Error: Unclassifiable statement at (1)
libxc.f90:38.11:

private
1
Error: PRIVATE statement at (1) is only allowed in the specification part of a module
libxc.f90:40.5:

end type xc_f90_ ## pointer_t
1
Error: Expecting END PROGRAM statement at (1)
libxc.f90:42.3:

end module xc_f90_ ## types_m
1
Error: Expecting END PROGRAM statement at (1)
libxc.f90:46:

module xc_f90_ ## lib_m
1
Error: Unclassifiable statement at (1)
libxc.f90:48.13:

use xc_f90_ ## types_m
1
Error: Syntax error in USE statement at (1)
libxc.f90:49.19:

use libxc_funcs_m
1
libxc.f90:39.30:

integer, pointer :: buffer
2
Error: USE statement at (1) cannot follow data declaration statement at (2)
libxc.f90:51.15:

implicit none
1
libxc.f90:39.30:

integer, pointer :: buffer
2
Error: IMPLICIT NONE statement at (1) cannot follow data declaration statement at (2)
libxc.f90:53.8:

public
1
Error: PUBLIC statement at (1) is only allowed in the specification part of a module
libxc.f90:99.23:

subroutine xc_f90_ ## version(major, minor)
1
Error: Syntax error in SUBROUTINE statement at (1)
libxc.f90:100.42:

integer, intent(out) :: major, minor
1
Error: Unexpected data declaration statement in INTERFACE block at (1)
libxc.f90:101.7:

end subroutine xc_f90_ ## version
1
Error: Expecting END INTERFACE statement at (1)
libxc.f90:106.28:

integer function xc_f90_ ## info_number(info)
1
Error: Expected formal argument list in function definition at (1)
libxc.f90:107.17:

use xc_f90_ ## types_m
1
Error: Syntax error in USE statement at (1)
libxc.f90:108.6:

type(xc_f90_ ## pointer_t), intent(in) :: info
1
Error: Unclassifiable statement at (1)
libxc.f90:109.7:

end function xc_f90_ ## info_number
1
Error: Expecting END INTERFACE statement at (1)
libxc.f90:111.28:

integer function xc_f90_ ## info_kind(info)
1
Internal Error at (1):
insert_bbt(): Duplicate key found!
make[7]: *** [libxc_la-libxc.lo] Error 1
make[6]: *** [all] Error 2
make[5]: *** [all-recursive] Error 1
make[4]: *** [all] Error 2
make[3]: *** [stamps/libxc-build-stamp] Error 2
make[2]: [all-local] Error 2 (ignored)
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make[2]: *** [all-local] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2
MacBook-Pro-di-Lorenzo-Dona:abinit-7.2.2 lorenzodona$

I also tried with :
./configure CPP=/usr/bin/cpp --with-dft-flavor="atompaw+bigdft+wannier90" to disable libxc, (like found in one post of this forum) but I found an error in :
Warning: DO loop at (1) will be executed zero times
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71369:no such instruction: `vmovsd (%rsp), %xmm0'
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71370:no such instruction: `vmovsd %xmm0, (%rbx)'
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71519:no such instruction: `vmovsd (%rcx), %xmm0'
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71530:no such instruction: `vmovsd %xmm0, 16(%rsp)'
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71689:no such instruction: `vmovss (%rsp), %xmm0'
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71690:no such instruction: `vmovss %xmm0, (%rbx)'
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71839:no such instruction: `vmovss (%rcx), %xmm0'
/var/folders/PM/PMFD6pyMGHaxVw8bsH03CU+++TI/-Tmp-//cc4yhQyy.s:71850:no such instruction: `vmovss %xmm0, 16(%rsp)'
make[7]: *** [netcdf.lo] Error 1
make[6]: *** [all] Error 2
make[5]: *** [all-recursive] Error 1
make[4]: *** [all] Error 2
make[3]: *** [stamps/netcdf-build-stamp] Error 2
make[2]: [all-local] Error 2 (ignored)
Checking build of netcdf fallback
test -e stamps/netcdf-install-stamp
make[2]: *** [all-local] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2
MacBook-Pro-di-Lorenzo-Dona:abinit-7.2.2 lorenzodona$

Excuse me again if I bother you with this problem but I wanna to install it because I think that ABINIT is a wonderful program :)
Attachments
config.log
first config with ./configure CPP=/usr/bin/cpp
(202.47 KiB) Downloaded 279 times
config.log
second config with ./configure CPP=/usr/bin/cpp --with-dft-flavor="atompaw+bigdft+wannier90"
(182.61 KiB) Downloaded 310 times

t-nissie
Posts: 12
Joined: Sat Jul 10, 2010 4:21 am
Contact:

Re: install abinit 7.2.2 on macbook pro

Post by t-nissie » Thu Jun 13, 2013 11:08 am

> no such instruction: `vmovsd (%rsp), %xmm0'

Try FCFLAGS_EXTRA=-mno-avx when you configure.
Takeshi Nishimatsu
love && peace && free_software
http://loto.sourceforge.net/feram/
Fast MD program for perovskite-type ferroelectrics

lorenzodona
Posts: 36
Joined: Tue May 14, 2013 12:04 am

Re: install abinit 7.2.2 on macbook pro

Post by lorenzodona » Thu Jun 13, 2013 11:12 pm

Thanks really I built ABINIT I'm really happy
But when I tried to build ABINIT with:

TRIO flavor : netcdf-fallback+etsf_io-fallback

I find a segmentation fault when I optimize a geometry


_setup2: Arith. and geom. avg. npw (full set) are 45570.500 45570.496
initro : for itypat= 1, take decay length= 0.7000,
initro : indeed, coreel= 2.0000, nval= 4 and densty= 0.0000E+00.

================================================================================
Succesfully open t3xo_HIST for reading
Extracting information from NetCDF file...
Number of atoms readed: 60
Number of iterations recorded: 1
Segmentation fault

I find this error only with trio flavor with netcdf
Please can you help me to install abinit with trio flavor netcdf-fallback+etsf_io-fallback and without segmentation fault.
Thanks again.

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