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openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
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Python Bindings fail to build with Plumed + OpenMM 7.5 #38

Closed nickjbrowning closed 3 years ago

nickjbrowning commented 3 years ago

Plumed and plumed-openmm successfully built, but when attempting to build the openmm-plumed python plugin (make PythonInstall) the following error occured:

cd /scicore/home/lilienfeld/browni0000/software/openmm-plumed-src/build/python && /scicore/home/lilienfeld/browni0000/software/swig/bin/swig -python -c++ -o PlumedPluginWrapper.cpp -I/scicore/home/lilienfeld/browni0000/software/openmm/include /scicore/home/lilienfeld/browni0000/software/openmm-plumed-src/python/plumedplugin.i
swig: DOH/base.c:36: DohDelete: Assertion `0' failed.
/bin/sh: line 1:  7620 Aborted                 /scicore/home/lilienfeld/browni0000/software/swig/bin/swig -python -c++ -o PlumedPluginWrapper.cpp -I/scicore/home/lilienfeld/browni0000/software/openmm/include /scicore/home/lilienfeld/browni0000/software/openmm-plumed-src/python/plumedplugin.i
 CMAKE_BUILD_TYPE                                                                                                                    
 CMAKE_INSTALL_PREFIX             /scicore/home/lilienfeld/browni0000/software/openmm                                                
 CUDA_HOST_COMPILER               /scicore/soft/apps/GCCcore/8.3.0/bin/cc                                                            
 CUDA_SDK_ROOT_DIR                CUDA_SDK_ROOT_DIR-NOTFOUND                                                                         
 CUDA_TOOLKIT_ROOT_DIR            /scicore/soft/apps/CUDA/10.1.243-GCC-8.3.0                                                         
 CUDA_USE_STATIC_CUDA_RUNTIME     ON                                                                                                 
 CUDA_rt_LIBRARY                  /usr/lib64/librt.so                                                                                
 OPENCL_INCLUDE_DIR               /scicore/soft/apps/CUDA/10.1.243-GCC-8.3.0/include                                                 
 OPENCL_LIBRARY                   /scicore/soft/apps/CUDA/10.1.243-GCC-8.3.0/lib64/libOpenCL.so                                      
 OPENMM_DIR                       /scicore/home/lilienfeld/browni0000/software/openmm                                                
 PLUMED_BUILD_CUDA_LIB            ON                                                                                                 
 PLUMED_BUILD_OPENCL_LIB          ON                                                                                                 
 PLUMED_BUILD_PYTHON_WRAPPERS     ON                                                                                                 
 PLUMED_INCLUDE_DIR               /scicore/home/lilienfeld/browni0000/software/plumed/include/plumed                                 
 PLUMED_LIBRARY_DIR               /scicore/home/lilienfeld/browni0000/software/plumed/lib                                            
 PYTHON_EXECUTABLE                /scicore/home/lilienfeld/browni0000/miniconda3/envs/sci/bin/python                                 
 SWIG_EXECUTABLE                  /scicore/home/lilienfeld/browni0000/software/swig/bin/swig

I'm using Python 3.7, swig 3.0.5, and all plumed/openmm/openmm-plumed codes were compiled with gcc 8.3

If any help/advice could be given would be greatly appreciated.

nickjbrowning commented 3 years ago

upgrading from swig 3.0.5 to swig 4.0.2 has resolved this issue.

peastman commented 3 years ago

Ok! Closing this since it's resolved.