Project

General

Profile

regression-avx2-2019.1-intel-2019u2.txt

regression AVX2 Intel 2019u2 - Stefan Becuwe, 03/07/2019 01:34 PM

 
1
-DCMAKE_C_COMPILER='icc'    -DCMAKE_CXX_COMPILER='icpc'    -DCMAKE_C_FLAGS='' -DCMAKE_CXX_FLAGS='' \
2
-DGMX_PREFER_STATIC_LIBS=ON \
3
-DGMX_OPENMP=ON \
4
-DGMX_SIMD=AUTO \
5
-DGMX_GPU=OFF \
6
-DGMX_X11=OFF \
7
-DGMX_FFT_LIBRARY=mkl -DGMX_EXTERNAL_BLAS=ON -DGMX_EXTERNAL_LAPACK=ON \
8
-DGMX_MPI=OFF -DGMX_THREAD_MPI=ON  -DGMX_DOUBLE=ON \
9
-DREGRESSIONTEST_DOWNLOAD=ON
10

    
11
44/46 Test #44: regressiontests/freeenergy ..........***Failed    4.75 sec
12
Will test using executable suffix _d
13
[...]
14
Abnormal return value for ' gmx_d mdrun       -notunepme >mdrun.out 2>&1' was -1
15
FAILED. Check mdrun.out, md.log file(s) in expanded for expanded
16
Mdrun cannot use the requested (or automatic) number of ranks, retrying with 8.
17
[...]
18
2 out of 10 freeenergy tests FAILED
19

    
20
###
21

    
22
-DCMAKE_C_COMPILER='mpiicc'    -DCMAKE_CXX_COMPILER='mpiicpc'    -DCMAKE_C_FLAGS='' -DCMAKE_CXX_FLAGS='' \
23
-DGMX_PREFER_STATIC_LIBS=ON \
24
-DGMX_OPENMP=ON \
25
-DGMX_SIMD=AUTO \
26
-DGMX_GPU=OFF \
27
-DGMX_X11=OFF \
28
-DGMX_FFT_LIBRARY=mkl -DGMX_EXTERNAL_BLAS=ON -DGMX_EXTERNAL_LAPACK=ON \
29
-DGMX_MPI=ON -DGMX_THREAD_MPI=OFF  -DGMX_DOUBLE=OFF \
30
-DREGRESSIONTEST_DOWNLOAD=ON
31

    
32
46/46 Test #46: regressiontests/essentialdynamics ...***Failed    1.59 sec
33
Will test on 8 MPI ranks (if possible)
34
[...]
35
Use of uninitialized value in addition (+) at /dev/shm/gromacs-2019.1/build3/tests/regressiontests-2019.1/gmxtest.pl line 1786.
36
FAILED: Can not read sam.edi at /dev/shm/gromacs-2019.1/build3/tests/regressiontests-2019.1/gmxtest.pl line 1312.
37

    
38
Abnormal return value for 'echo 0 | gmx_mpi make_edi -f eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err' was 1
39

    
40
###
41

    
42
-DCMAKE_C_COMPILER='mpiicc'    -DCMAKE_CXX_COMPILER='mpiicpc'    -DCMAKE_C_FLAGS='' -DCMAKE_CXX_FLAGS='' \
43
-DGMX_PREFER_STATIC_LIBS=ON \
44
-DGMX_OPENMP=ON \
45
-DGMX_SIMD=AUTO \
46
-DGMX_GPU=OFF \
47
-DGMX_X11=OFF \
48
-DGMX_FFT_LIBRARY=mkl -DGMX_EXTERNAL_BLAS=ON -DGMX_EXTERNAL_LAPACK=ON \
49
-DGMX_MPI=ON -DGMX_THREAD_MPI=OFF  -DGMX_DOUBLE=ON \
50
-DREGRESSIONTEST_DOWNLOAD=ON
51

    
52
46/46 Test #46: regressiontests/essentialdynamics ...***Failed    1.59 sec
53
Will test on 8 MPI ranks (if possible)
54
[...]
55
Use of uninitialized value in addition (+) at /dev/shm/gromacs-2019.1/build4/tests/regressiontests-2019.1/gmxtest.pl line 1786.
56
FAILED: Can not read sam.edi at /dev/shm/gromacs-2019.1/build4/tests/regressiontests-2019.1/gmxtest.pl line 1312.
57

    
58
Abnormal return value for 'echo 0 | gmx_mpi_d make_edi -f eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err' was 1
59