Hello,
There's a building issue that's cropping up now because of PBSA's
dependence on FFTW3 in parallel. The problem is that PBSA does not always
build in parallel (especially if it can't find the proper libraries).
However, if fftw3 doesn't get built in parallel, you hit this issue:
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o dsvdc.o dsvdc.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o timer.o timer.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o decomp.o decomp.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o getcoor.o getcoor.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o runmd.o runmd.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o runmin.o runmin.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o egb.o egb.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o pb_lsolver.o pb_lsolver.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o pb_nlsolver.o pb_nlsolver.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o pb_iimdrv.o pb_iimdrv.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o pb_mpfrc.o pb_mpfrc.F90
mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR
-I/nics/d/home/swails/amber/include -I/nics/d/home/swails/amber/include
-o fftw3.o fftw3.F90
fftw3.F90(4): error #5102: Cannot open include file 'fftw3-mpi.f03'
include 'fftw3-mpi.f03'
----------^
compilation aborted for fftw3.F90 (code 1)
make[2]: *** [fftw3.o] Error 1
make[2]: *** Waiting for unfinished jobs....
make[2]: Leaving directory `/nics/d/home/swails/amber/AmberTools/src/pbsa'
make[1]: *** [parallel] Error 2
make[1]: Leaving directory `/nics/d/home/swails/amber/AmberTools/src'
make: *** [install] Error 2
Any ideas? Is there a way to build PBSA _without_ the FFT solver?
Thanks!
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Feb 14 2012 - 20:00:03 PST
