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[console1 gimic]$ ./setup --fc=ifort
cmake -DCMAKE_Fortran_COMPILER=ifort -DEXTRA_FCFLAGS="''" -DCMAKE_C_COMPILER=gcc -DEXTRA_CFLAGS="''" -DCMAKE_CXX_COMPILER=g++ -DEXTRA_CXXFLAGS="''" -DENABLE_OPENMP=False -DENABLE_MPI=False -DENABLE_CODE_COVERAGE=False -DENABLE_BLAS=False -DENABLE_LAPACK=False -DCMAKE_BUILD_TYPE=release -G"Unix Makefiles" -H/share/home/ZhuangW/zhouq/GIMIC-new/gimic -B/share/home/ZhuangW/zhouq/GIMIC-new/gimic/build
-- The Fortran compiler identification is Intel 13.0.0.20121010
-- The C compiler identification is GNU 4.4.6
-- The CXX compiler identification is GNU 4.4.6
-- Check for working Fortran compiler: /share/apps/intel2013/composer_xe_2013.1.117/bin/intel64/ifort
-- Check for working Fortran compiler: /share/apps/intel2013/composer_xe_2013.1.117/bin/intel64/ifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /share/apps/intel2013/composer_xe_2013.1.117/bin/intel64/ifort supports Fortran 90
-- Checking whether /share/apps/intel2013/composer_xe_2013.1.117/bin/intel64/ifort supports Fortran 90 -- yes
-- Check for working C compiler: /usr/bin/gcc
-- Check for working C compiler: /usr/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/g++
-- Check for working CXX compiler: /usr/bin/g++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found PythonInterp: /share/home/ZhuangW/anaconda3/bin/python (found version "2.7.12")
-- Found NumPy: version "1.9.0" /share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/numpy/core/include
-- Found Cython: /share/home/ZhuangW/anaconda3/bin/cython
-- Found Python: /share/home/ZhuangW/anaconda3/bin/python
-- Configuring done
-- Generating done
-- Build files have been written to: /share/home/ZhuangW/zhouq/GIMIC-new/gimic/build
configure step is done
now you need to compile the sources:
$ cd build
$ make
[console1 gimic]$ cd build
[console1 build]$ make
Scanning dependencies of target gimic2
[ 2%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/kinds.f90.o
[ 4%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/settings.f90.o
[ 7%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/teletype.f90.o
[ 9%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/globals.f90.o
[ 11%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/tensor.f90.o
[ 14%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/acid.f90.o
[ 16%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/gtodefs.f90.o
[ 19%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/intgrl.f90.o
[ 21%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/basis.f90.o
[ 23%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/factorial.f90.o
[ 26%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/cao2sao.f90.o
[ 28%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/caos.f90.o
[ 30%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/bfeval.f90.o
[ 33%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/reorder.f90.o
[ 35%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/dens.f90.o
/share/home/ZhuangW/zhouq/GIMIC-new/gimic/src/libgimic/dens.f90(322): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
read(XDFD, '(4d20.14)') mos(1:4,i)
---------------------------^
[ 38%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/gaussint.f90.o
[ 40%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/gausspoints.f90.o
[ 42%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/jtensor.F90.o
[ 45%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/timer.f90.o
[ 47%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/gimic_interface.f90.o
[ 50%] Building Fortran object src/libgimic/CMakeFiles/gimic2.dir/lip.f90.o
[ 52%] Building C object src/libgimic/CMakeFiles/gimic2.dir/gausspoints.c.o
[ 54%] Building CXX object src/libgimic/CMakeFiles/gimic2.dir/GimicInterface.cpp.o
[ 57%] Linking CXX static library libgimic2.a
[ 57%] Built target gimic2
[ 59%] Compiling Cython CXX source for gimic...
/share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/Cython/Compiler/Main.py:367: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /share/home/ZhuangW/zhouq/GIMIC-new/gimic/src/libgimic/gimic.pxd
tree = Parsing.p_module(s, pxd, full_module_name)
Scanning dependencies of target gimic
[ 61%] Building CXX object src/libgimic/CMakeFiles/gimic.dir/gimic.cxx.o
[ 64%] Linking CXX shared module gimic.so
[ 64%] Built target gimic
[ 66%] Compiling Cython C source for gengauss...
/share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/Cython/Compiler/Main.py:367: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /share/home/ZhuangW/zhouq/GIMIC-new/gimic/src/libgimic/gengauss.pxd
tree = Parsing.p_module(s, pxd, full_module_name)
Scanning dependencies of target gengauss
[ 69%] Building C object src/libgimic/CMakeFiles/gengauss.dir/gengauss.c.o
In file included from /share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/numpy/core/include/numpy/ndarraytypes.h:1804,
from /share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/numpy/core/include/numpy/ndarrayobject.h:17,
from /share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/numpy/core/include/numpy/arrayobject.h:4,
from /share/home/ZhuangW/zhouq/GIMIC-new/gimic/build/src/libgimic/gengauss.c:594:
/share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION"
[ 71%] Linking CXX shared module gengauss.so
[ 71%] Built target gengauss
[ 73%] Compiling Cython C source for connector...
/share/home/ZhuangW/zhouq/python/install-python/lib/python2.7/site-packages/Cython/Compiler/Main.py:367: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /share/home/ZhuangW/zhouq/GIMIC-new/gimic/src/pygimic/connector.pxd
tree = Parsing.p_module(s, pxd, full_module_name)
Scanning dependencies of target connector
[ 76%] Building C object src/pygimic/CMakeFiles/connector.dir/connector.c.o
[ 78%] Linking C shared module connector.so
[ 78%] Built target connector
Scanning dependencies of target gimic.bin
[ 80%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/getkw.f90.o
[ 83%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/grid.f90.o
[ 85%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/parallel.F90.o
[ 88%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/vtkplot.f90.o
[ 90%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/jfield.f90.o
[ 92%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/magnet.f90.o
[ 95%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/integral.f90.o
[ 97%] Building Fortran object src/fgimic/CMakeFiles/gimic.bin.dir/gimic.F90.o
[100%] Linking Fortran executable gimic.bin
[100%] Built target gimic.bin
[console1 build]$ make test
Running tests...
Test project /share/home/ZhuangW/zhouq/GIMIC-new/gimic/build
Start 1: benzene/integration-gauss
1/24 Test #1: benzene/integration-gauss .........***Failed 0.04 sec
Start 2: benzene/integration-lobatto
2/24 Test #2: benzene/integration-lobatto .......***Failed 0.04 sec
Start 3: benzene/vectors
3/24 Test #3: benzene/vectors ...................***Failed 0.04 sec
Start 4: benzene/2d
4/24 Test #4: benzene/2d ........................***Failed 0.04 sec
Start 5: benzene/3d
5/24 Test #5: benzene/3d ........................***Failed 0.04 sec
Start 6: benzene/keyword-magnet
6/24 Test #6: benzene/keyword-magnet ............***Failed 0.04 sec
Start 7: benzene/3d-keyword-magnet
7/24 Test #7: benzene/3d-keyword-magnet .........***Failed 0.04 sec
Start 8: benzene/2d-keyword-magnet
8/24 Test #8: benzene/2d-keyword-magnet .........***Failed 0.04 sec
Start 9: benzene/keyword-spacing
9/24 Test #9: benzene/keyword-spacing ...........***Failed 0.04 sec
Start 10: benzene/keyword-rotation
10/24 Test #10: benzene/keyword-rotation ..........***Failed 0.04 sec
Start 11: benzene/keyword-rotation_origin
11/24 Test #11: benzene/keyword-rotation_origin ...***Failed 0.04 sec
Start 12: benzene/keyword-radius
12/24 Test #12: benzene/keyword-radius ............***Failed 0.03 sec
Start 13: benzene/int-grid-bond-even
13/24 Test #13: benzene/int-grid-bond-even ........***Failed 0.03 sec
Start 14: benzene/int-cdens
14/24 Test #14: benzene/int-cdens .................***Failed 0.04 sec
Start 15: benzene/diamag-off
15/24 Test #15: benzene/diamag-off ................***Failed 0.04 sec
Start 16: benzene/paramag-off
16/24 Test #16: benzene/paramag-off ...............***Failed 0.03 sec
Start 17: benzene/giao-test
17/24 Test #17: benzene/giao-test .................***Failed 0.04 sec
Start 18: c4h4/integration
18/24 Test #18: c4h4/integration ..................***Failed 0.03 sec
Start 19: c4h4/read-grid
19/24 Test #19: c4h4/read-grid ....................***Failed 0.03 sec
Start 20: open-shell/3d
20/24 Test #20: open-shell/3d .....................***Failed 0.04 sec
Start 21: open-shell/integration
21/24 Test #21: open-shell/integration ............***Failed 0.04 sec
Start 22: benzene/valgrind-integral
22/24 Test #22: benzene/valgrind-integral .........***Failed 0.04 sec
Start 23: benzene/valgrind-2d
23/24 Test #23: benzene/valgrind-2d ...............***Failed 0.03 sec
Start 24: benzene/skip-jmod-integration
24/24 Test #24: benzene/skip-jmod-integration .....***Failed 0.04 sec
0% tests passed, 24 tests failed out of 24
Total Test time (real) = 1.00 sec
The following tests FAILED:
1 - benzene/integration-gauss (Failed)
2 - benzene/integration-lobatto (Failed)
3 - benzene/vectors (Failed)
4 - benzene/2d (Failed)
5 - benzene/3d (Failed)
6 - benzene/keyword-magnet (Failed)
7 - benzene/3d-keyword-magnet (Failed)
8 - benzene/2d-keyword-magnet (Failed)
9 - benzene/keyword-spacing (Failed)
10 - benzene/keyword-rotation (Failed)
11 - benzene/keyword-rotation_origin (Failed)
12 - benzene/keyword-radius (Failed)
13 - benzene/int-grid-bond-even (Failed)
14 - benzene/int-cdens (Failed)
15 - benzene/diamag-off (Failed)
16 - benzene/paramag-off (Failed)
17 - benzene/giao-test (Failed)
18 - c4h4/integration (Failed)
19 - c4h4/read-grid (Failed)
20 - open-shell/3d (Failed)
21 - open-shell/integration (Failed)
22 - benzene/valgrind-integral (Failed)
23 - benzene/valgrind-2d (Failed)
24 - benzene/skip-jmod-integration (Failed)
Errors while running CTest
make: *** [test] Error 8
求助：GIMIC 按照说明书安装make test，然而无法运行，为什么？
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发表于 Post on 2019-3-19 22:29:10
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楼主 Author
发表于 Post on 2019-6-23 00:25:57