Hello,
I am trying to compile Amber18+AmberTool19 with the following command:
./configure -cuda intel
but it always failed with the following messages:
------------------------------
Using the AmberTools miniconda installation in /soft/amber/18/miniconda
version 2.7.16
CUDA Version 10.1 detected
Configuring for SM3.0, SM3.5, SM3.7, SM5.0, SM5.2, SM5.3, SM6.0, SM6.1
and SM7.0
Obtaining the intel compiler suite versions, e.g.:
icc -v
The C version is 19.0.5.281
The Fortran version is 19.0.5.281
Testing the icc compiler:
icc -fPIC -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -std=gnu99
-o testp testp.c
OK
Testing the icpc compiler:
icpc -fPIC -o testp testp.cpp
OK
Testing the ifort compiler:
ifort -fPIC -O0 -o testp testp.f
OK
Testing mixed C/Fortran compilation:
icc -fPIC -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -std=gnu99
-c -o testp.c.o testp.c
ifort -fPIC -O0 -c -o testp.f.o testp.f
icc -fPIC -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp
testp.c.o testp.f.o -lifport -lifcore -lsvml
/usr/lib64/gcc/x86_64-suse-linux/8/../../../../x86_64-suse-linux/bin/ld:
warning: libimf.so, needed by
/soft/intel/mkl-2019v5.281/compilers_and_libraries_2019.5.281/linux/compiler/lib/intel64_lin/libifport.so.5,
not found (try using -rpath or -rpath-link)
/usr/lib64/gcc/x86_64-suse-linux/8/../../../../x86_64-suse-linux/bin/ld:
warning: libintlc.so.5, needed by
/soft/intel/mkl-2019v5.281/compilers_and_libraries_2019.5.281/linux/compiler/lib/intel64_lin/libifport.so.5,
not found (try using -rpath or -rpath-link)
/usr/lib64/gcc/x86_64-suse-linux/8/../../../../x86_64-suse-linux/bin/ld:
testp: hidden symbol `__intel_cpu_features_init_x' in
/soft/intel/mkl-2019v5.281/compilers_and_libraries_2019.5.281/linux/compiler/lib/intel64_lin/libirc.a(cpu_feature_disp.o)
is referenced by DSO
/usr/lib64/gcc/x86_64-suse-linux/8/../../../../x86_64-suse-linux/bin/ld:
final link failed: bad value
./configure2: line 2521: ./testp: No such file or directory
Error: Unable to compile mixed C/Fortran code.
Please check your compiler settings and configure flags.
Configure failed due to the errors above!
-------------------------------------
thanks a lot
Albert
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Dec 12 2019 - 20:00:02 PST
