runtest.py failed 12 tests
Posted: Sat Sep 05, 2020 11:10 am
Hi everyone,
Greetings. I am having some problem in testing the abinit-8.10.3 built with Intel 2019 Update 3. I am wondering if these failed cases will make further practical use less legitimate. It will be very appreciated if some one could help me resolve the problem.
The packages used in building abinit are netCDF (4.7.4), netCDF-Fortran (4.5.3), LibXC (3.0.1), MKL (within Intel 19.3) FFTW3 (3.3.8) and Wannier90 (1.2). They are all built with the same ifort 19 compiler. Here is the configure command used
Compilation succeded. Tests were run shortly after compilation to check the build, with the command as runtests.py -j8 --force-mpi. The overall report is below.
The 12 failed tests are
Since I can't upload the HTML report files, the stderr is briefly pasted below
1. atompaw
[atompaw][t02][np=1]: failed: erroneous lines 28 > 25 [file=t02.out]
[atompaw][t04][np=1]: failed: absolute error 0.015 > 0.011 [file=t04.out]
2. unitary
Both tfftfftw3_01 and tfftfftw3_02 tests have the following in the stderr
3. v3
In t88 and t89, it reports "The diff analysis cannot be pursued: the leading characters differ."
4. v7
t43 failed with absolute error 10.0 > 0.0011
t87 failed with "The diff analysis cannot be pursued: the leading characters differ."
5. v8
t43 and t63 failed with "The diff analysis cannot be pursued: the leading characters differ."
t45 failed with erroneous lines 35 > 33
Greetings. I am having some problem in testing the abinit-8.10.3 built with Intel 2019 Update 3. I am wondering if these failed cases will make further practical use less legitimate. It will be very appreciated if some one could help me resolve the problem.
The packages used in building abinit are netCDF (4.7.4), netCDF-Fortran (4.5.3), LibXC (3.0.1), MKL (within Intel 19.3) FFTW3 (3.3.8) and Wannier90 (1.2). They are all built with the same ifort 19 compiler. Here is the configure command used
Code: Select all
./configure --prefix="/opt/software/abinit/8.10.3/intel-2019.3" \
CXX=mpiicpc FC=mpiifort CC=mpiicc MPI_RUNNER=mpirun \
--enable-64-bit-flags \
--with-mpi-incs="-I$MKLROOT/../mpi/intel64/include" --with-mpi-libs="-L$MKLROOT/../mpi/intel64/lib -lmpi" \
--with-linalg-flavor="mkl+scalapack" --with-linalg-incs=-I$MKLROOT/include/intel64/lp64 \
--with-linalg-libs="-L$MKLROOT/lib/intel64 -lmkl_blas95_lp64 -lmkl_lapack95_lp64 -lmkl_scalapack_lp64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -Wl,--end-group -lpthread -lm -ldl" \
--enable-gw-dpc --with-fft-flavor="fftw3" --with-fft-libs="-L$FFTW3DIR/lib -lfftw3_mpi -lfftw3" --with-fft-incs=-I$FFTW3DIR/include/ \
--with-dft-flavor="atompaw+libxc+wannier90" --with-libxc-incs="-I$LIBXCDIR/include/" --with-libxc-libs="-L$LIBXCDIR/lib -lxcf90 -lxc" \
--with-trio-flavor="netcdf" --with-netcdf-incs="-I$NETCDF_HOME/include/ -I$NETCDF_F_HOME/include/" --with-netcdf-libs="-L$NETCDF_HOME/lib -L$NETCDF_F_HOME/lib -lnetcdff -lnetcdf" \
--with-wannier-libs="$WANNIER90_HOME/libwannier90.a" --with-wannier90-bins="$WANNIER90_HOME/" --with-wannier90-incs="-I$WANNIER90_HOME/src"
Code: Select all
Suite failed passed succeeded skipped disabled run_etime tot_etime
atompaw 2 0 0 0 0 12.26 12.48
bigdft 0 0 0 23 0 0.00 0.38
bigdft_paral 0 0 0 4 0 0.00 0.05
built-in 0 0 6 1 0 7.47 7.62
etsf_io 0 0 8 0 0 25.86 26.24
fast 0 1 10 0 0 42.74 44.12
gpu 0 0 0 7 0 0.00 0.01
libxc 0 7 28 0 0 502.62 506.75
mpiio 0 0 1 17 0 1.84 1.89
paral 0 5 22 89 0 552.69 556.70
psml 0 0 0 14 0 0.00 0.02
seq 0 0 0 18 0 0.00 0.01
tutomultibinit 0 0 3 0 0 38.94 41.86
tutoparal 0 0 1 5 0 0.78 0.81
tutoplugs 0 4 0 0 0 13.25 13.42
tutorespfn 0 6 20 0 0 1368.07 1373.88
tutorial 0 13 46 0 0 1557.80 1562.85
unitary 2 0 19 13 0 96.64 97.32
v1 0 1 75 0 0 673.91 679.98
v2 0 14 65 0 0 939.31 945.70
v3 1 13 64 0 0 707.81 717.84
v4 0 11 50 0 0 683.25 691.34
v5 0 13 60 0 0 1199.20 1213.47
v6 1 8 52 0 0 771.25 781.04
v67mbpt 1 7 17 0 0 376.32 382.42
v7 2 10 52 0 0 1587.33 1600.73
v8 3 8 35 2 0 1567.68 1575.06
vdwxc 0 0 1 0 0 14.04 14.09
wannier90 0 7 0 0 0 32.56 32.94
Completed in 1810.95 [s]. Average time for test=16.48 [s], stdev=29.64 [s]
Summary: failed=12, succeeded=635, passed=128, skipped=193, disabled=0
Code: Select all
atompaw_t01-02
atompaw_t03-t04
unitary_tfftfftw3_01
unitary_tfftfftw3_02
v3_t87-t88-t89-t90-t91
v6_t45
v67mbpt_t37-t38-t39
v7_t43
v7_t85-t86-t87-t88-t89
v8_t41-t42-t43-t44
v8_t45
v8_t61-t62-t63-t64-t65
1. atompaw
[atompaw][t02][np=1]: failed: erroneous lines 28 > 25 [file=t02.out]
[atompaw][t04][np=1]: failed: absolute error 0.015 > 0.011 [file=t04.out]
2. unitary
Both tfftfftw3_01 and tfftfftw3_02 tests have the following in the stderr
Code: Select all
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libifcoremt.so.5 000014B4C75E2522 for__signal_handl Unknown Unknown
libpthread-2.28.s 000014B4C9242070 Unknown Unknown Unknown
fftprof 00000000006F1DFA Unknown Unknown Unknown
fftprof 00000000006F0501 fftw_destroy_plan Unknown Unknown
fftprof 000000000047CC1B Unknown Unknown Unknown
fftprof 00000000004354D4 Unknown Unknown Unknown
fftprof 000000000043063E Unknown Unknown Unknown
fftprof 000000000040BF12 Unknown Unknown Unknown
fftprof 0000000000409022 Unknown Unknown Unknown
libc-2.28.so 000014B4C51BE413 __libc_start_main Unknown Unknown
fftprof 0000000000408F2E Unknown Unknown Unknown
In t88 and t89, it reports "The diff analysis cannot be pursued: the leading characters differ."
4. v7
t43 failed with absolute error 10.0 > 0.0011
t87 failed with "The diff analysis cannot be pursued: the leading characters differ."
5. v8
t43 and t63 failed with "The diff analysis cannot be pursued: the leading characters differ."
t45 failed with erroneous lines 35 > 33