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July 2014

5 participants
2 discussions

Problems installing IMP 2.2.0
by Davide Baù 23 Jul '14

23 Jul '14

Hi, I tried to install imp 2.2.0 on a mac and on a linux machine. It failed on both machines. First I run: > cmake ../imp -DCMAKE_BUILD_TYPE=Release -DIMP_MAX_CHECKS=NONE -DIMP_MAX_LOG=SILENT -DCMAKE_CXX_FLAGS="-fopenmp" and then: > $ cat CMakeError.log > Performing C++ SOURCE FILE Test IMP_COMPILER_HAS_AUTO failed with the following output: > Change Dir: /usr/src/imp/imp-r2.2.0/CMakeFiles/CMakeTmp > > Run Build Command:/usr/bin/make "cmTryCompileExec1534889314/fast" > /usr/bin/make -f CMakeFiles/cmTryCompileExec1534889314.dir/build.make CMakeFiles/cmTryCompileExec1534889314.dir/build > make[1]: Entering directory `/usr/src/imp/imp-r2.2.0/CMakeFiles/CMakeTmp' > /usr/bin/cmake -E cmake_progress_report /usr/src/imp/imp-r2.2.0/CMakeFiles/CMakeTmp/CMakeFiles 1 > Building CXX object CMakeFiles/cmTryCompileExec1534889314.dir/src.cxx.o > /usr/bin/c++ -fopenmp -DIMP_COMPILER_HAS_AUTO -o CMakeFiles/cmTryCompileExec1534889314.dir/src.cxx.o -c /usr/src/imp/imp-r2.2.0/CMakeFiles/CMakeTmp/src.cxx > /usr/src/imp/imp-r2.2.0/CMakeFiles/CMakeTmp/src.cxx: In function ‘int main()’: > /usr/src/imp/imp-r2.2.0/CMakeFiles/CMakeTmp/src.cxx:10:8: error: ‘a’ does not name a type > make[1]: *** [CMakeFiles/cmTryCompileExec1534889314.dir/src.cxx.o] Error 1 > make[1]: Leaving directory `/usr/src/imp/imp-r2.2.0/CMakeFiles/CMakeTmp' > make: *** [cmTryCompileExec1534889314/fast] Error 2 > > Source file was: > /** > * ile nothing.cpp > * rief nothing > * > * Copyright 2007-2014 IMP Inventors. All rights reserved. > * > */ > > int main() { > auto a = 6; > return 0; > } Is there any known issue about this IMP version? Thanks, Davide

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Parallelize code
by Davide Baù 16 Jul '14

16 Jul '14

Hi, I have set up a Brownian dynamics optimizer as follow: > m = IMP.kernel.Model() > > # Brownian Dynamics > bd=IMP.atom.BrownianDynamics(m) > bd.set_maximum_time_step(1000) > > for i in range(1, nrounds): > e = bd.optimize(10) Is it possible in IMP to parallelize the code to make it faster? I have seen that there is the possibility to use OpenMP but I am not really sure how to implement it. Thanks, Davide

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