Hi,
I just pushed a fix for -mkl and cpptraj
===
Added -mkl handling to cpptraj specific variables to fix this:
./configure -mkl intel
make install
...
icpc -o cpptraj ActionFrameCounter.o ... readline/libreadline.a
-L/tmp/amber/lib -lfftw3 /tmp/amber/lib/libarpack.a /tmp/amber/lib/liblapack.a
/tmp/amber/lib/libblas.a -lifport -lifcore -L/tmp/amber/lib -lsander /tmp/amber/lib/libnetcdf.a -lbz2 -lz xdrfile/libxdrfile.a
icpc: error #10236: File not found: '/tmp/amber/lib/liblapack.a'
icpc: error #10236: File not found: '/tmp/amber/lib/libblas.a'
make[4]: *** [cpptraj] Error 1
===
and i noticed that cpptraj is always using parallel mkl (via -mkl without
any qualifications) as opposed to -mkl=sequential. Is that intentional ?
Note also that the two threads of mkl support in our configure
MKL_HOME and -mkl should probably be handled in a more unified manner -
potential post release future work.
scott
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Mon Mar 20 2017 - 19:30:03 PDT
