[AMBER] Problem compiling Amber20 - undefined reference to 'plumedmain_create'

From: Amanda Buyan <Amanda.Buyan.anu.edu.au>
Date: Thu, 23 Jul 2020 06:07:39 +0000

Hi everyone,

I hope you can help me with this, and I hope it is a user error - I'm attempting to compile Amber20 on our CentOS GPU cluster, and am running into some trouble even trying to compile the serial version! The error I'm getting is

[ 52%] Linking Fortran executable sander.LES
CMakeFiles/sander.LES.dir/Plumed.c.o:(.data+0x10):undefined reference to 'plumedmain_create'
CMakeFiles/sander.LES.dir/Plumed.c.o:(.data+0x18):undefined reference to 'plumedmain_cmd'
CMakeFiles/sander.LES.dir/Plumed.c.o:(.data+0x20):undefined reference to 'plumedmain_finalize'
collect2: error: ls returned 1 exist status
make[2]: *** [AmberTools/src/sander/sander.LES] Error 1
make[1]: *** [AmberTools/src/sander/CMakeFiles/sander.LES.dir/all] Error 2
make: *** [all] Error 2

I'm installing it in /usr/local/, and have checked that the md5sum is correct. I am then running the following commands:

tar xvfj AmberTools20.tar.bz2
tar xvfj Amber20.tar.bz2
cd amber20_src/AmberTools/src
sudo tar -xvzf mpich-3.2.1.tar.gz
cd /usr/local/amber20_source/build
sudo ./run_cmake
sudo make install

I also have the correct cmake installed, and we have an earlier version of Amber on the cluster, and should have everything Amber needs for installation. If it helps, plumed is also installed on this cluster for a separate software package. Can anyone point me to a possible reason why this should happen?

Best wishes

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Received on Wed Jul 22 2020 - 23:30:03 PDT
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