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 - 13:30:03 PDT
