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[Q][SOLVED] open64 for abinit?
Posted: Wed Nov 02, 2011 9:00 pm
by bjeon
Hi, I am trying to install abinit using open64 compiler, with AMD processors.
Has anyone made with open64? It seems that abinit configure script doesn't recognize openf95.
I used as:
export FC=/home/xx/open64-4.2.4/bin/openf95
export F90=/home/xx/open64-4.2.4/bin/openf95
export CC=/home/xx/open64-4.2.4/bin/opencc
export CPP='/home/xx/open64-4.2.4/bin/opencc -E'
export CXX=/home/xx/open64-4.2.4/bin/openCC
./configure --prefix=/home/xx/abinit_serial
But there are error messages such as:
openf95-855 openf95: ERROR DEFS_DATATYPES, File = defs_datatypes.F90, Line = 81, Column = 8
The compiler has detected errors in module "DEFS_DATATYPES". No module information file will be created for this module.
Any comment will be greatly appreciated.
ByoungSeon
Re: [Q] open64 for abinit?
Posted: Wed Nov 02, 2011 11:17 pm
by pouillon
If the compiler doesn't say what these errors consist in, I'm afraid we'll not be able to help you much.
I don't remember why I didn't put Open64 support in the Abinit build system, but seeing this error message, I guess it is probably because it was unable to build the source code.
Re: [Q] open64 for abinit?
Posted: Sat Nov 05, 2011 10:24 pm
by jbeuken
Hi ByoungSeon,
for information, I successed to compile sequential ABINIT 6.9.1 (patched by me (not published))
with the AMD version of open64 ( 4.2.5.1 )
(
http://developer.amd.com/tools/open64/P ... fault.aspx ) under a HP/DL185 ( 2x OctoOpteron )
the result of tests are pretty good...
Code: Select all
6.9.1-private/r694
======================================================
Tests SEQ start at 15:25 and done after 2685s
test built_in OK
========================================================
Serie #tests #succes #passed #failed #missing
========================================================
atompaw 1 1 0 0 0
bigdft 13 13 0 0 0
etsf_io 9 9 0 0 0
fast 27 27 0 0 0
libxc 13 12 1 0 0
seq 35 26 8 1 0
tutoplugs 4 0 4 0 0
tutorespfn 46 39 7 0 0
tutorial 53 40 13 0 0
unitary 4 4 0 0 0
v1 96 96 0 0 0
v2 95 88 7 0 0
v3 93 86 7 0 0
v4 94 79 15 0 0
v5 99 74 24 1 0
v6 88 64 24 0 0
wannier90 3 0 3 0 0
========================================================
but the problem with the seq test is so serious that I decided not to publish the source changes to support open64...
a new version of open64 was released ( 4.2.5.2 ) : I will try to compile abinit 6.10.x with it...
to be followed...
jmb
Re: [Q] open64 for abinit?
Posted: Mon Nov 14, 2011 9:58 pm
by bjeon
Hi, thanks for the comment.
Seems that some of source codes need to be modified.
Anyway, I hope that new compiler may solve the issue - even though I tried before with 6.8.1.
If you post the result when you're done, it will be great help.
Best regards,
ByoungSeon
jbeuken wrote:Hi ByoungSeon,
for information, I successed to compile sequential ABINIT 6.9.1 (patched by me (not published))
with the AMD version of open64 ( 4.2.5.1 )
(
http://developer.amd.com/tools/open64/P ... fault.aspx ) under a HP/DL185 ( 2x OctoOpteron )
but the problem with the seq test is so serious that I decided not to publish the source changes to support open64...
a new version of open64 was released ( 4.2.5.2 ) : I will try to compile abinit 6.10.x with it...
to be followed...
jmb
Re: [Q] open64 for abinit?
Posted: Wed Feb 22, 2012 7:04 pm
by bjeon
Using abinit 6.12.1 and open64 5.0, abinit could have been installed.
Thanks abinit developers for the effort.
Also I leave the configure commands I used as references.
ByoungSeon
******** install openmpi -> then install abinit 6.12.1
1) install openmpi 1.4.5 using open64 5.0
$ ./configure --prefix=some_dir_for_openmpi CC=/open64_dir/bin/opencc CXX=/open64_dir/bin/openCC F77=/open64_dir/bin/openf90 FC=/open64_dir/bin/openf90
$ make
$ sudo make install
2) install abinit 6.12.1 using installed openmpi
$./configure --prefix=some_dir_for_abinit --enable-mpi --with-mpi-prefix=some_dir_for_openmpi
$ make
$ sudo make install
$ cd tests
$ make tests
Re: [Q][SOLVED] open64 for abinit?
Posted: Tue Mar 06, 2012 10:04 pm
by jbeuken
Hi,
my experience with open64 5.0 from open64.org
( better under Xeon / CentOS 6.2 than open64 4.2.5 from AMD !?!
)
I use openmpi 1.4.4 and my .ac file for configure of abinit is :
Code: Select all
enable_mpi="yes"
enable_mpi_io="no"
with_mpi_prefix="/usr/local/openmpi_open64"
enable_64bit_flags="yes"
enable_gw_dpc="yes"
all the tests passed except one :
v6#t48 -> segfault !?!
After a painful research of the problem, the workaround is the to add a line of code in "src/32_util/ys.F90"
Code: Select all
...
mone = -one
ys_val = czero
! strange workaround for open64 5.0 to prevent segfault with v6#t48
! add by jmb 1/3/12
write(std_out,*)'ys : ys_val = ',ys_val
if (lp == ll) then
...
regards
jmb
Re: [Q][SOLVED] open64 for abinit?
Posted: Thu Mar 08, 2012 6:42 pm
by pouillon
Does the segfault on v6#t48 still happen if you recompile the file without optimizations?
Re: [Q][SOLVED] open64 for abinit?
Posted: Thu Mar 08, 2012 10:50 pm
by jbeuken
Hi Yann,
pouillon wrote:Does the segfault on v6#t48 still happen if you recompile the file without optimizations?
if I compile only "32_util/ysF90" with -O0 ( and without the workaround ), the test succeeds !
I try to modify the code inside ys.F90 ( for ex : replace the case construction,... ) without success
jmb
Re: [Q][SOLVED] open64 for abinit?
Posted: Fri Mar 09, 2012 1:30 pm
by pouillon
Then this proves that it comes from a bug in the compiler.