option, parallelism,...
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to:
http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
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weitong
- Posts: 26
- Joined: Mon Sep 27, 2010 5:16 am
Post
by weitong » Wed Apr 02, 2014 6:32 pm
I reintalled abinit 7.6.2 with mpich3.1+intel 14. There is no any error messages showing out during make and install. But, when I run /tests/runtests.py, I got many errors related with "fldiff.pl".
Follwing are some messages copied during the tests running.
Code: Select all
[v7][t06] fldiff.pl fatal error:
The diff analysis cannot be done : the number of lines to be analysed differ.
File /home/weitong/setup/abinit/abinit-7.6.2/tests/v7/Refs/t06.out: 266 lines, 37 ignored
File /home/weitong/setup/abinit/abinit-7.6.2/tmp_mpich_intel/tests/Test_suite/v7_t06/t06.out: 265 lines, 37 ignored
[v7][t06] fldiff.pl fatal error:
Unable to open input file /home/weitong/setup/abinit/abinit-7.6.2/tmp_mpich_intel/tests/Test_suite/v7_t06/t06o_DS1_DOS_AT0001
[v7][t06] fldiff.pl fatal error:
Unable to open input file /home/weitong/setup/abinit/abinit-7.6.2/tmp_mpich_intel/tests/Test_suite/v7_t06/t06o_DS2_DOS_AT0001
[v7][t06] fldiff.pl fatal error:
Unable to open input file /home/weitong/setup/abinit/abinit-7.6.2/tmp_mpich_intel/tests/Test_suite/v7_t06/t06o_DS3_DOS_AT0001
[v7][t04] succeeded
[wannier90][t12] fldiff.pl fatal error:
The diff analysis cannot be done : the number of lines to be analysed differ.
File /home/weitong/setup/abinit/abinit-7.6.2/tests/wannier90/Refs/t12.out: 210 lines, 31 ignored
File /home/weitong/setup/abinit/abinit-7.6.2/tmp_mpich_intel/tests/Test_suite/wannier90_t12/t12.out: 209 lines, 31 ignored
[vdwxc][t10] fldiff.pl fatal error:
The diff analysis cannot be done : the number of lines to be analysed differ.
File /home/weitong/setup/abinit/abinit-7.6.2/tests/vdwxc/Refs/t10.out: 169 lines, 30 ignored
File /home/weitong/setup/abinit/abinit-7.6.2/tmp_mpich_intel/tests/Test_suite/vdwxc_t10/t10.out: 168 lines, 30 ignored
Build.ac file.
Code: Select all
enable_64bit_flags="yes"
prefix="/usr/local/abinit7.6.2_mpich3intel"
CC="mpicc"
CXX="mpicxx"
FC="mpif90"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/usr/local/mpich"
with_trio_flavor="netcdf+etsf_io+fox"
with_fft_flavor="fftw3"
with_fft_libs="-L/opt/intel/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
with_linalg_flavor="mkl"
with_linalg_libs="-L/opt/intel/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
enable_gw_dpc="yes"
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gmatteo
- Posts: 291
- Joined: Sun Aug 16, 2009 5:40 pm
Post
by gmatteo » Wed Apr 02, 2014 9:30 pm
It's a well known problem: there are tests that do not work as expected with ifort14.
Abinit version 7.8 will provide much better support for the new version of ifort.
How many tests are failing? Could you post the final summary?
Note that the script produces HTML files to facilitate the analysis of the tests.
Just open the file Test_suite/suite_report.html in your browser and look at the
tests that are failing. Each test has a set of keywords and a brief description.
If you have errors in the parts of the code (e.g GW, DFPT ...) you plan to use
for your production runs I suggest use a ifort12
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weitong
- Posts: 26
- Joined: Mon Sep 27, 2010 5:16 am
Post
by weitong » Thu Apr 03, 2014 3:43 am
Thanks.
Here is the final summary. I couldn't upload the html report.
Code: Select all
Test suite completed in 303.76 s (average time for test = 9.34 s, stdev = 19.96 s)
failed: 32, succeeded: 519, passed: 115, skipped: 113, disabled: 0
[bigdft][t07] has run_etime 133.20 s
[bigdft][t22] has run_etime 94.85 s
[bigdft][t32] has run_etime 94.85 s
[paral][t06_MPI1] has run_etime 91.80 s
[paral][t71_MPI1] has run_etime 71.88 s
[paral][t91_MPI1] has run_etime 55.59 s
[tutorespfn][telast_2-telast_3] has run_etime 75.16 s
[tutorespfn][telast_6] has run_etime 106.97 s
[tutorespfn][tffield_2-tffield_3] has run_etime 55.67 s
[tutorespfn][tnlo_2-tnlo_3-tnlo_4-tnlo_5] has run_etime 157.27 s
[tutorespfn][tnlo_6] has run_etime 143.43 s
[tutorespfn][tnlo_7-tnlo_8-tnlo_9-tnlo_10-tnlo_11] has run_etime 112.30 s
[tutorespfn][trf1_6] has run_etime 105.63 s
[tutorespfn][trf2_1-trf2_3-trf2_4-trf2_5-trf2_6-trf2_7] has run_etime 222.50 s
[tutorial][tbs_1-tbs_2-tbs_3-tbs_4] has run_etime 183.70 s
[tutorial][tgw1_1] has run_etime 63.39 s
[tutorial][tgw1_2-tgw1_3-tgw1_4-tgw1_5-tgw1_6-tgw1_7-tgw1_8] has run_etime 66.62 s
[tutorial][tgw1_9] has run_etime 49.74 s
[tutorial][tpaw2_2] has run_etime 64.19 s
[tutorial][tspin_3] has run_etime 57.00 s
[v2][t88] has run_etime 66.66 s
[v5][t16] has run_etime 134.88 s
[v5][t19] has run_etime 59.33 s
[v5][t66] has run_etime 50.44 s
[v5][t71] has run_etime 51.70 s
[v6][t34] has run_etime 64.08 s
[v6][t62] has run_etime 75.69 s
[v67mbpt][t02] has run_etime 65.65 s
[v67mbpt][t06] has run_etime 53.20 s
[v7][t21] has run_etime 55.35 s
[v7][t27] has run_etime 74.90 s
[v7][t28] has run_etime 72.14 s
Suite failed passed succeeded skipped disabled run_etime tot_etime
atompaw 0 1 1 0 0 18.32 18.72
bigdft 2 3 18 0 0 520.08 524.13
built-in 0 0 7 0 0 13.22 13.91
etsf_io 0 0 7 0 0 14.70 15.54
fast 0 0 11 0 0 41.00 44.32
fox 1 0 1 0 0 13.34 13.47
gpu 0 0 0 4 0 0.00 0.01
libxc 3 5 13 0 0 210.54 217.48
mpiio 0 0 1 13 0 2.96 3.07
paral 0 5 16 64 0 472.48 480.43
seq 0 0 0 18 0 0.00 0.01
tutoparal 0 0 1 1 0 0.44 0.49
tutoplugs 0 4 0 0 0 17.47 18.06
tutorespfn 0 7 15 0 0 1205.22 1220.24
tutorial 1 8 39 0 0 865.22 879.95
unitary 0 1 16 13 0 39.98 40.76
v1 3 2 71 0 0 222.03 235.90
v2 2 10 68 0 0 296.62 314.90
v3 9 10 63 0 0 415.27 440.36
v4 1 17 45 0 0 510.76 536.63
v5 5 14 55 0 0 967.60 1004.81
v6 0 14 46 0 0 730.75 762.93
v67mbpt 2 4 11 0 0 267.07 271.72
v7 1 5 14 0 0 394.34 400.00
vdwxc 1 0 0 0 0 0.56 0.58
wannier90 1 5 0 0 0 34.61 35.20
[weitong@magnetics tests]$
