On Thu, Jul 26, 2012, Jorgen Simonsen wrote:
>
> I am trying to compile amber10 pmemd with intel-library. The versions
> of my mpif90 is (mpif90 -show)
>
> ifort -I/sw/openmpi-1.6_intel/include -I/sw/openmpi-1.6_intel/lib
> -L/sw/openmpi-1.6_intel/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -lnuma
> -Wl,--export-dynamic -lrt -lnsl -lutil
>
> I have configured the with the following options
>
> ./configure linux64_opteron ifort intelmpi nobintraj
>
> which gives a config.h file
>
> make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
> /lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
> -DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
> gbl_constants.fpp gbl_constants.f90
> mpif90 -c -auto -xW -ip -O3 gbl_constants.f90
> f95: language W not recognized
> f95: language W not recognized
> f95: gbl_constants.f90: linker input file unused because linking not done
Not sure where/how you got "-xW", but you could try removing that from the
config.h. The last message above means you are not compiling
gbl_constants.f90.
....
Sure enough, when link time comes around, you don't have any compiled files:
> f95: gbl_constants.o: No such file or directory
Trying to grok the rest of your email, it looks like maybe(?) you tried
removing some flags, and got a new error, which I think has been discussed
previously.
Another good suggestion is to upgrade. Basically, the current intel compilers
were released long after Amber10 was written. We have plenty of problems
keeping up with Intel compiler changes for the latest codes, and don't have
the capability to back-port every fix to earlier versions. We'll try to help,
but be aware that none of the developers have used amber10 for a long time.
....dac
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Received on Fri Jul 27 2012 - 09:00:04 PDT
