gnina / libmolgrid

Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
https://gnina.github.io/libmolgrid/
Apache License 2.0
144 stars 48 forks source link

make error #81

Open hanshangjin opened 2 years ago

hanshangjin commented 2 years ago

make_error I had an error when building molgrid with 'make -j8'. Could you tell me how to deal with this issue? Thanks!

dkoes commented 2 years ago

Please provide the details of your setup. What compiler and operating system version. Your CMakeCache file. And please do not post images of text data.

hanshangjin commented 2 years ago

Here is some information of the system and compiler: Linux version 4.15.0-142-generic gcc version 5.4.0 20160609 (Ubuntu 5.4.0-6ubuntu1~16.04.12) Ubuntu 16.04.7

Detailed environment information: Name Version Build Channel _libgcc_mutex 0.1 main
_openmp_mutex 4.5 1_gnu
attrs 21.2.0 pypi_0 pypi blas 1.0 mkl
bottleneck 1.3.2 py37heb32a55_1
bzip2 1.0.8 h7b6447c_0
ca-certificates 2021.10.26 h06a4308_2
cairo 1.16.0 hf32fb01_1
certifi 2021.10.8 py37h06a4308_0
cudatoolkit 10.2.89 hfd86e86_1
ffmpeg 4.2.2 h20bf706_0
fontconfig 2.13.1 h6c09931_0
freetype 2.11.0 h70c0345_0
giflib 5.2.1 h7b6447c_0
glib 2.69.1 h5202010_0
gmp 6.2.1 h2531618_2
gnutls 3.6.15 he1e5248_0
icu 58.2 he6710b0_3
importlib-metadata 4.10.0 pypi_0 pypi iniconfig 1.1.1 pypi_0 pypi intel-openmp 2021.4.0 h06a4308_3561
jpeg 9b h024ee3a_2
lame 3.100 h7b6447c_0
lcms2 2.12 h3be6417_0
ld_impl_linux-64 2.35.1 h7274673_9
libboost 1.73.0 h3ff78a5_11
libffi 3.3 he6710b0_2
libgcc-ng 9.3.0 h5101ec6_17
libgfortran-ng 7.5.0 ha8ba4b0_17
libgfortran4 7.5.0 ha8ba4b0_17
libgomp 9.3.0 h5101ec6_17
libidn2 2.3.2 h7f8727e_0
libopus 1.3.1 h7b6447c_0
libpng 1.6.37 hbc83047_0
libstdcxx-ng 9.3.0 hd4cf53a_17
libtasn1 4.16.0 h27cfd23_0
libtiff 4.2.0 h85742a9_0
libunistring 0.9.10 h27cfd23_0
libuuid 1.0.3 h7f8727e_2
libuv 1.40.0 h7b6447c_0
libvpx 1.7.0 h439df22_0
libwebp 1.2.0 h89dd481_0
libwebp-base 1.2.0 h27cfd23_0
libxcb 1.14 h7b6447c_0
libxml2 2.9.12 h03d6c58_0
lz4-c 1.9.3 h295c915_1
mkl 2021.4.0 h06a4308_640
mkl-service 2.4.0 py37h7f8727e_0
mkl_fft 1.3.1 py37hd3c417c_0
mkl_random 1.2.2 py37h51133e4_0
ncurses 6.3 h7f8727e_2
nettle 3.7.3 hbbd107a_1
ninja 1.10.2 py37hd09550d_3
numexpr 2.7.3 py37h22e1b3c_1
numpy 1.21.2 py37h20f2e39_0
numpy-base 1.21.2 py37h79a1101_0
olefile 0.46 py37_0
openbabel 3.0.0 py37hdef5451_1 conda-forge openh264 2.1.1 h4ff587b_0
openssl 1.1.1l h7f8727e_0
packaging 21.3 pypi_0 pypi pandas 1.3.4 py37h8c16a72_0
pcre 8.45 h295c915_0
pillow 8.4.0 py37h5aabda8_0
pip 21.2.2 py37h06a4308_0
pixman 0.40.0 h7f8727e_1
pluggy 1.0.0 pypi_0 pypi psutil 5.8.0 pypi_0 pypi py 1.11.0 pypi_0 pypi py-boost 1.73.0 py37ha9443f7_11
pynvml 11.4.1 pypi_0 pypi pyparsing 3.0.6 pypi_0 pypi pyquaternion 0.9.9 pypi_0 pypi pytest 6.2.5 pypi_0 pypi python 3.7.11 h12debd9_0
python-dateutil 2.8.2 pyhd3eb1b0_0
pytorch 1.9.0 py3.7_cuda10.2_cudnn7.6.5_0 pytorch pytz 2021.3 pyhd3eb1b0_0
pyyaml 6.0 pypi_0 pypi rdkit 2020.09.1.0 py37hd50e099_1 rdkit readline 8.1 h27cfd23_0
scipy 1.7.1 py37h292c36d_2
setuptools 58.0.4 py37h06a4308_0
six 1.16.0 pyhd3eb1b0_0
sqlite 3.36.0 hc218d9a_0
tk 8.6.11 h1ccaba5_0
toml 0.10.2 pypi_0 pypi torchaudio 0.9.0 py37 pytorch torchvision 0.10.0 py37_cu102 pytorch typing_extensions 3.10.0.2 pyh06a4308_0
wheel 0.37.0 pyhd3eb1b0_1
x264 1!157.20191217 h7b6447c_0
xz 5.2.5 h7b6447c_0
zipp 3.6.0 pypi_0 pypi zlib 1.2.11 h7f8727e_4
zstd 1.4.9 haebb681_0

CMakeCache.txt: https://github.com/hanshangjin/Errors/blob/main/CMakeCache.txt

Thank you so much!

dkoes commented 2 years ago

That link doesn't work. I assume the issue is you are using a 6 year old operating system (that is no longer supported) and your compiler is too old. Try upgrading your gcc version.