Question
I have an error: Illegal instruction (core dumped). What should I do?
I meet this error when using GROMACS, a package for my research. I don't think this is a GROMACS's error but an error of C because GROMACS is written from C++ (I know this after have been googling around). That's why I put this question in here. I know nothing about C. Is it impossible to solve?
Solution 2
This is my conversation to GROMACS team. In short:
https://stackoverflow.com/questions/22499762
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Russianfftw3 by ./configure --enable-float, make, make install cmake .. -DCMAKE_PREFIX_PATH=/usr/local, make and make installsource /usr/local/gromacs/bin/GMXRC (you may need to add this line into your ~/.bashrc file so that it will auto activate anytime you open a new shell)If you use an old machine, I think you should use old version. Hope this help :)
OTHER TIPS
Did you compile GROMACS yourself ? And most importantly, are you executing the software on the same machine on which it was compiled ?
I was running into the same issue after compiling GROMACS on a computer (login node of a cluster) and trying to use the executable on another computer (compute node of the cluster) with an inferior set of instructions.
If so, have a look at this page of the GROMACS manual (this depends on the version you are trying to compile) to determine the highest common instruction set of your different machines and recompile gromacs with the appropriate value for -DGMX_SIMD. In my case, it looked like:
cmake .. -DGMX_SIMD=SSE4.1
Compile GROMACS for the machine you will run it on. Most easily done by doing so on the machine where you will run it.
