AMBER: AMBER compilation error

From: Sukjoon Yoon <>
Date: Fri, 7 Oct 2005 11:32:36 +0900

Dear AMBER community,

I need your help to install AMBER8 in our workstations.

Hardware & OS:

- Dell Precision 670n
- Intel Xeon 3.2GHz/800MHz/1MB, Intel EM64T
- Redhat Enterprise Linux WS 4 (64bit version installed by manufacturer)

Compilers & Math library:

1) Intel fortran, C++ compilers (v9.0) installed (supporting 64bit

2) Intel MKL (v8.0) installed

3) All paths were set up.
   export AMBERHOME=/opt/amber8
   export MKL_HOME=/opt/intel/mkl/8.0

Then, "./configure -static ia64_ifrot" --> Everything looks fine so

At "make serial" step, I've got following error message.
Why sander compilation failed?
What is IPO Error?
What's the problem with "libmkl_Iapack.a" file?

Could anybody help me to avoid the errors? Thank you.. Sukjoon

        ../lmod/lmod.a /opt/intel/mkl/8.0/lib/64/libmkl_lapack.a
/opt/intel/mkl/8.0/lib/64/libmkl_ipf.a -L/opt/intel/mkl/8.0/lib/64
-lguide -lpthread -ldl \
        ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
IPO Error: unresolved : vdinvsqrt_
        Referenced in egb.o
        Referenced in ew_direct.o
IPO Error: unresolved : vdinv_
        Referenced in egb.o
IPO Error: unresolved : vdln_
        Referenced in egb.o
IPO Error: unresolved : vdexp_
        Referenced in egb.o
        Referenced in ew_recip.o
IPO Error: unresolved : dspev_
        Referenced in remarc.o
        Referenced in align.o
IPO Error: unresolved : ddot_
        Referenced in runmin.o
IPO Error: unresolved : dgeev_
        Referenced in ene.o
/opt/intel/mkl/8.0/lib/64/libmkl_lapack.a: could not read symbols: Bad
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/opt/amber8/src/sander'
make: *** [serial] Error 2

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Fri Oct 07 2005 - 03:53:00 PDT
Custom Search