Dear Amber community,
I have now updated the OS on our machines (to latest openSUSE Tumbleweed
snapshot) and I am trying to update the AMBER 24 installation as well. I
am using gcc 14.2.1, Cuda 12.4.1, openmpi 5.0.7.
However I get the error below which is related to "Quick". I tried to
disable Quick (with -DDISABLE_TOOL="quick" in run_cmake) but then I get
some dependency issue for sander (missing libquick). I should say that I
have built Amber 24 successfully with gcc 13.2.1 before.
Does anyone have any idea what is happening here ?
Thanks a lot for any tips on how to fix this.
Best wishes
Vlad
/apps/amber/24_tools-24_cuda-12.4.1_openmpi-5.0.7_gnu-14.2.1/AmberTools/src/quick/src/cuda/cusolver/quick_cusolver.c:105:11:
error: implicit declaration of functi
on ‘cublasAlloc’ [-Wimplicit-function-declaration]
105 | stat1=cublasAlloc (imax(1, dim*dim), sizeof(devPtr_o),
(void**)&devPtr_o);
| ^~~~~~~~~~~
/apps/amber/24_tools-24_cuda-12.4.1_openmpi-5.0.7_gnu-14.2.1/AmberTools/src/quick/src/cuda/cusolver/quick_cusolver.c:113:9:
error: implicit declaration of functio
n ‘cublasFree’; did you mean ‘cudaFree’? [-Wimplicit-function-declaration]
113 | cublasFree (devPtr_o);
| ^~~~~~~~~~
| cudaFree
[ 7%] Built target kmmd
make[2]: ***
[AmberTools/src/quick/src/cuda/CMakeFiles/cusolver_obj.dir/build.make:79:
AmberTools/src/quick/src/cuda/CMakeFiles/cusolver_obj.dir/cusolver/quick_cu
solver.c.o] Error 1
make[1]: *** [CMakeFiles/Makefile2:10302:
AmberTools/src/quick/src/cuda/CMakeFiles/cusolver_obj.dir/all] Error 2
--
Dr. Vlad Cojocaru (PD, Habil.)
----------------------------------------------
Guest Scientist / Fmr. Project Group Leader
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
----------------------------------------------
Email:vlad.cojocaru.mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/43241/cojocaru
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Mar 29 2025 - 13:30:02 PDT
