abinit-6.10.3 and Error 77

Mascha · Post by **Mascha** » Mon Apr 02, 2012 9:05 pm

Hallo to all,

i have the order to install abinit-6.10.3 on a server. I could solve some problems by myself, but as a beginner I am now at the corner of my possibilities. I ask you for help!!!

Here the details:

distributor: SUSE Linux Enterprise Server 10 (ppc)
power5-pc
pp64 - 64-bit-architecture

I used the following command for compilation:

./compile with_fallbacks_tardir=".../abinit-6.10.3/tarballs" with_dft_flavor="atompaw+libxc+wannier90" FC="xlf"

It went well and I used the make-command. But the following was the end of the output: Error 77.

: output - error77

And this is the log-file (divided in 2 parts):

config.log: (252.8 KiB) Downloaded 352 times

config2.log: (254.39 KiB) Downloaded 348 times

Someone suggested me to use
CCFLAGS_OPTIM="-O2 -mcpu=power5" CCFLAGS="-g -ffree-line-length-none -O2 -mcpu=power5"
in the configure-command, but it also did not work.

Please help.

Post by **pouillon** » Tue Apr 03, 2012 11:34 am

Just try Abinit 6.12.2 first, and let us know if you get the same problems.

Mascha · Post by **Mascha** » Tue Apr 03, 2012 12:08 pm

I already tried. I used the following command

sh ./configure FC="xlf"

but the following was the end of the output.

: output - problem with tarballs

But I already downloaded the data

netcdf-4.1.1.tar.gz

in the specified directory, also the other tarballs. The command with_dtf_flavor was not accepted.

How should I go forward?

Post by **pouillon** » Tue Apr 03, 2012 5:30 pm

You should then download the NetCDF tarball again or use the --with-trio-flavor="none" option.

Please have a look to ~abinit/doc/config/build-config.ac as well, as stated in this forum's rules. It contains important information on all available options.

Mascha · Post by **Mascha** » Tue Apr 17, 2012 8:37 am

Hello,

I waited for the new ABINIT-version 6.12.3 in hope to handle with less problems.
After I configured with

sh ./configure FC="xlf" with_dtf_flavor="none" with_trio_flavor="none" enable_64bit_flags="yes"

I typed make and the following problem appeared seen in the output and log-data.

The log-data is divided in 2 parts:

config.log: (255.24 KiB) Downloaded 311 times

config2.log: (255.67 KiB) Downloaded 300 times

Please help solving this problem.

Post by **pouillon** » Tue Apr 17, 2012 6:04 pm

see viewtopic.php?f=2&t=1596

Mascha · Post by **Mascha** » Tue May 29, 2012 3:21 pm

I read the link of your response. But I could not transfer this posts to my problem.
I wonder if the main reason for this failure is the outdated system I have to work with.

Is it possible at all to compile abinit-6.12.3 with this following programs?

gcc (GCC) 4.1.2 20070115
and
IBM XL Fortran Advanced Edition for Linux, V11.1
and
GNU Make 3.80

regards

Maria

Post by **pouillon** » Tue May 29, 2012 4:24 pm

In principle yes. You'll probably have to do the following:

Code: Select all

../configure --enable-fc-wrapper --with-trio-flavor="none" --with-dft-flavor="none"

It is also possible that you have to provide some Fortran flags yourself to configure through FCFLAGS_EXTRA or FCFLAGS_OPTIM.

Mascha · Post by **Mascha** » Wed May 30, 2012 2:06 pm

Thank you very much for the last hint. The building process seems to finish soon.

But a new failure appeared. Please look at the output.

Code: Select all

ABINIT WRAPPER BEGIN
cpp -P -traditional-cpp  -DHAVE_CONFIG_H  -I. -I../.. -I../../src/incs -I../../src/incs -I/home/unimainz/maust/abinit-6.12.3/fallbacks/exports/include -I/home/unimainz/maust/abinit-6.12.3/src/mods symfind.F90 > symfind_cpp.f90
xlf -q64  -DHAVE_CONFIG_H -P -traditional-cpp -qsuffix=cpp=F90:f=f90 -qfree=f90 -qmoddir=/home/unimainz/maust/abinit-6.12.3/src/mods -O3 -qmaxmem=65536 -qspill=2000 -qarch=auto -qtune=auto -qcache=auto -qstrict -qsuppress=1520-022:1520-031 -q64 -qzerosize -c -o symfind.o  -I. -I../.. -I../../src/incs -I../../src/incs -I/home/unimainz/maust/abinit-6.12.3/fallbacks/exports/include -I/home/unimainz/maust/abinit-6.12.3/src/mods symfind_cpp.f90
xlf: 1501-257 (W) Option P is not recognized.  Option will be ignored.
"symfind_cpp.f90", 1516-036 (S) Entity class  has undefined type.
** symfind   === End of Compilation 1 ===
1501-511  Compilation failed for file symfind_cpp.f90.
ABINIT WRAPPER END (exit code 1)
make[3]: *** [symfind.o] Error 1
make[3]: Leaving directory `/home/unimainz/maust/abinit-6.12.3/src/42_geometry'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/unimainz/maust/abinit-6.12.3/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/unimainz/maust/abinit-6.12.3'
make: *** [all] Error 2

And please help me again.

Post by **pouillon** » Thu May 31, 2012 1:05 pm

Difficult to tell without more info. Make a diff between symfind.F90 and symfind_cpp.f90, and look at what could have gone wrong. It will give you hints.

A possible solution could be to find a GNU cpp or compatible on your system and give the FPP="/path/to/your/cpp" argument to configure.

Mascha · Post by **Mascha** » Thu May 31, 2012 8:14 pm

I made it. The building process finished with the help of your last hint. Thank you Pouillon.

Then I wanted to make internal tests. And again went something wrong.

The following output appeared after typing "make testin_1":

Code: Select all

make: *** No rule to make target `testin_1'.  Stop.

And after typing "make tests_in":

Code: Select all

make basic_tests
make[1]: Entering directory `/home/unimainz/maust/abinit-6.12.3'
cd ./tests && make tests_in
make[2]: Entering directory `/home/unimainz/maust/abinit-6.12.3/tests'
make testin_1 testin_2 testin_3 testin_bigdft testin_etsf_io testin_libxc testin_wannier90
make[3]: Entering directory `/home/unimainz/maust/abinit-6.12.3/tests'
echo "Running built-in test in_1"
Running built-in test in_1
timeout="0" perl ./Scripts/run-basic-tests.pl built-in in_1 /home/unimainz/maust/abinit-6.12.3/tests

 Status file, with repetition rate  99, status number    10

  Level abinit         : call macroin2
sh: line 1: 20177 Segmentation fault      ../../../src/98_main/abinit <testin_1.files >testin_1.log

 Status file, with repetition rate  99, status number    10

  Level abinit         : call macroin2
echo "Running built-in test in_2"
Running built-in test in_2
timeout="0" perl ./Scripts/run-basic-tests.pl built-in in_2 /home/unimainz/maust/abinit-6.12.3/tests

 Status file, with repetition rate  49, status number    10

  Level abinit         : call macroin2

 Status file, with repetition rate  49, status number    10

  Level abinit         : call macroin2
sh: line 1: 20195 Segmentation fault      ../../../src/98_main/abinit <testin_2.files >testin_2.log

 Status file, with repetition rate  49, status number    10

  Level abinit         : call macroin2
echo "Running built-in test in_3"
Running built-in test in_3
timeout="0" perl ./Scripts/run-basic-tests.pl built-in in_3 /home/unimainz/maust/abinit-6.12.3/tests
sh: line 1: 20218 Segmentation fault      ../../../src/98_main/abinit <testin_3.files >testin_3.log

 Status file, with repetition rate  49, status number    10

  Level abinit         : call macroin2
make[3]: Nothing to be done for `testin_bigdft'.
make[3]: Nothing to be done for `testin_etsf_io'.
make[3]: Nothing to be done for `testin_libxc'.
make[3]: Nothing to be done for `testin_wannier90'.

What should I do?

Post by **pouillon** » Fri Jun 01, 2012 3:35 pm

Since you built a parallel version of Abinit, you might have to submit a job in order to be able to run the tests.

Mascha · Post by **Mascha** » Fri Jun 01, 2012 10:11 pm

Please write more in detail. Don't forget, I'm just a rookie.

What do you mean with submit a job?
Yes, there is a old and working Abinit version on the server. Is it possible to install the new version without deleting the other one, or not?

regards

Maria

Post by **pouillon** » Mon Jun 04, 2012 6:29 pm

These are details you have to discuss with your system administrator.

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