Hi Charlie,
Yes, this fixed the compiling problem. Thanks!
Xiongwu
________________________________
From: Charles Lin <clin92.ucsd.edu>
Sent: Monday, March 19, 2018 2:48:53 PM
To: AMBER Developers Mailing List
Subject: Re: [AMBER-Developers] Error when install RC2 for gpu with intel mpi
Can you try putting an #ifdef MP_VEC around lines 3238 to lines 3241 so encapsulate the vectorization preprocessor flags with an ifdef.
I never tried compiling this code with intel compilers + cuda because I haven't had access to a machine with both the intel compilers + gpus.
Thanks,
Charlie
________________________________
From: Wu, Xiongwu (NIH/NHLBI) [E] <wuxw.nhlbi.nih.gov>
Sent: Monday, March 19, 2018 2:44:18 PM
To: AMBER Developers Mailing List
Subject: [AMBER-Developers] Error when install RC2 for gpu with intel mpi
While
./configure -cuda intel
make install
works fine,
./configure -cuda -intelmpi intel
make install
I got error:
mpiifort -DMPI -DBINTRAJ -DEMIL -DPUBFFT -ip -O3 -no-prec-div -xHost -DCUDA -DGTI -DMPI -DMPICH_IGNORE_CXX_SEEK -I/u/wxw/ambers/amber18/include -c nb_pairlist.F90
nb_pairlist.F90(3238): error #8018: The memory reference associated with an ASSUME_ALIGNED directive must not be in COMMON, a field reference, use associated, or host associated. [PROC_ATM_TO_FULL_LIST]
!DIR$ ASSUME_ALIGNED x_crd_j:64,y_crd_j:64,z_crd_j:64,atm_j_lst:64,proc_atm_to_full_list:64, atm_j_excl_list:64
-------------------------------------------------------------------^
compilation aborted for nb_pairlist.F90 (code 1)
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Received on Mon Mar 19 2018 - 14:00:03 PDT
