[AMBER-Developers] Error when install RC2 for gpu with intel mpi

From: Wu, Xiongwu (NIH/NHLBI) [E] <"Wu,>
Date: Mon, 19 Mar 2018 18:44:18 +0000

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 - 12:00:03 PDT
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