Dear All,
I am finding following problem in configuring cpptraj development version
with already compiled ambertools16 which is compiled on the same machine
with same set of tools
Platform:
Linux Ubuntu 14.04 64 bit
gcc: gcc (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4
Commands executed.
git clone
https://github.com/Amber-MD/cpptraj
cd cpptraj
echo $AMBERHOME
/odex/amber16
source $AMBERHOME/amber.sh
bash configure --with-sanderlib=/odex/amber16 -shared -openmp -amberlib gnu
And getting below output. Where is says it Compilation with the SANDER API
failed.
But I want it to compile with sander.
Any suggestion/help in this regard is highly appreciated. If cause of error
and solution to it is mentioned it would be a great favor.
Assuming 64 bit architecture.
Enabling position-independent code for generating shared library.
Using BLAS/LAPACK/ARPACK/NetCDF libraries in /odex/amber16
Using SANDER API in '/odex/amber16'.
Using gnu compilers
Installing cpptraj binary to /home/shailesh/soft/cpptraj/bin
Using OpenMP
Testing C compiler:
OK
Testing C++ compiler:
OK
Testing Fortran compiler:
OK
Checking BZLIB
OK
Checking ZLIB
OK
Checking NetCDF
OK
Checking LAPACK/BLAS
OK
Checking ARPACK
OK
Checking availability of the SANDER API from AmberTools
Using SANDER API from /odex/amber16
Warning: Compilation with the SANDER API failed. Error follows:
--------------------
testp.cpp: In function ‘int main()’:
testp.cpp:12:44: error: ‘struct sander_input’ has no member named ‘ibelly’
input_.ntc = 2; input_.ntr = 0; input_.ibelly = 0;
^
testp.cpp:14:42: error: ‘struct sander_input’ has no member named
‘bellymask’
input_.restraintmask[0] = '\0'; input_.bellymask[0] = '\0';
input_.refc[0] = '\0';
^
testp.cpp:14:70: error: ‘struct sander_input’ has no member named ‘refc’
input_.restraintmask[0] = '\0'; input_.bellymask[0] = '\0';
input_.refc[0] = '\0';
^
--------------------
Thank you,
Shailesh Panday
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Received on Fri Mar 10 2017 - 03:00:02 PST
