Hi All,
Since SAXS does not yet have a bugzilla entry I figured I would bring
this up here. SAXS fails to compile for me with intel compilers
version 16 using OpenMP. The specific error is here:
icpc -c -fpic -O3 -openmp -DOPENMP -fpic
-I/uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-intel/include
-o f_calc.o f_calc.cpp
f_calc.cpp(112): error: parallel loops with collapse must be perfectly nested
for (size_t x = 0; x < dx[type].ngrid[0]; x++)
^
Error: the OpenMP "single" pragma must not be enclosed by the "for" pragma
The code block in question is here (f_calc.cpp lines 111 to 118):
#pragma omp parallel for shared (result, type, Z) collapse(3)
for (size_t x = 0; x < dx[type].ngrid[0]; x++)
for (size_t y = 0; y < dx[type].ngrid[1]; y++)
for (size_t z = 0; z < dx[type].ngrid[2]; z++) {
size_t index_center = dx_3Dindex_to_1Dindex
(dx[type], x, y, z);
double grid = (dx[type].value[index_center] -
1) * dx[type].conc * Z;
result.value[index_center] += grid;
}
It's not immediately obvious to me what the problem is with 'x';
normally that error means not all statements are in the innermost loop
but that's clearly not the issue here. Removing the "collapse(3)" gets
rid of the error. Any ideas?
-Dan
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Fri Sep 25 2015 - 08:00:02 PDT
