Actually. Sorry, for the last email. Just found the answer.
AmberTools15 and Amber14 come pre-patched for plumed.
Can you just confirm that information?
Thanks
2016-05-13 17:29 GMT-03:00 Fabrício Bracht <fabracht1.gmail.com>:
> Hi there. I am using plumed 2.2, intel parallel studio 2016 compilers and
> amber14.
> I compiled plumed, extracted amber14 and ambertools15 and updated amber
> using the update script.
> After that I applied the patches from plumed using plumed-patch.
> When I tried to compile amber using ./configure intel | make -j 4 install,
> the following error halts the compilation
>
>
> ifort -DMKL -DBINTRAJ -DEMIL -c -O0 -fpic -FR -I../pbsa -I../sqm
> -I../rism -I../../../include -I/home/fabricio/amber14/include
> -I/home/fabricio/amber14/include
> -I/opt/intel/compilers_and_libraries_2016.2.181/linux/mkl/include
> -DRISMSANDER -o sander.o sander.F90
> sander.F90(22): error #6580: Name in only-list does not exist. [PLUMED]
> use constants, only : INV_AMBER_ELECTROSTATIC, plumed, plumedfile
> --------------------------------------------------^
> sander.F90(22): error #6580: Name in only-list does not exist.
> [PLUMEDFILE]
> use constants, only : INV_AMBER_ELECTROSTATIC, plumed, plumedfile
> ----------------------------------------------------------^
> sander.F90(1947): remark #8577: The scale factor (k) and number of
> fractional digits (d) do not have the allowed combination of either -d < k
> <= 0 or 0 < k < d+2. Expect asterisks as output.
> read(dat_unit,'(1x,4e16.0)')esp_qm,xb_esp,yb_esp,zb_esp
> ------------------------------^
> compilation aborted for sander.F90 (code 1)
> make[2]: *** [sander.o] Error 1
> make[2]: Leaving directory `/home/fabricio/amber14/AmberTools/src/sander'
> make[1]: *** [serial] Error 2
> make[1]: Leaving directory `/home/fabricio/amber14/AmberTools/src'
> make: *** [install] Error 2
>
> Looked for this error in the amber mailing list and could not find any
> references. Any help here would be appreciated.
>
>
> Fabrício
>
>
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Received on Fri May 13 2016 - 14:00:03 PDT
