<div dir="ltr">Hi,<div><br></div><div>This list for discussion of the development of GROMACS, and this question refers more to the use of GROMACS. I will reply to it on the gmx-users mailing list.</div><div><br></div><div>
Mark</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Oct 16, 2013 at 7:19 AM, Nikolay Alemasov <span dir="ltr"><<a href="mailto:such3r@gmail.com" target="_blank">such3r@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Greetings,<br>
<br>
I am trying to compile the source code v.4.6.3 with cmake. The shell script is (ran from the "build" directory inside gromacs source root dir):<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
CC=/ifs/opt/2013/intel/bin/icc<br>
CXX=/ifs/opt/2013/intel/bin/<u></u>icpc<br>
CMAKE_PREFIX_PATH="/ifs/home/<u></u>bionet/alemasov/libraries/<u></u>fftw"<br>
<br>
cmake .. \<br>
-DGMX_GPU=OFF \<br>
-DGMX_CPU_ACCELERATION=SSE2 \<br>
-DFFTWF_LIBRARY='/ifs/home/<u></u>bionet/alemasov/libraries/<u></u>fftw/lib/libfftw3f.so' \<br>
-DFFTWF_INCLUDE_DIR='/ifs/<u></u>home/bionet/alemasov/<u></u>libraries/fftw/include' \<br>
-DCMAKE_INSTALL_PREFIX='/ifs/<u></u>home/bionet/alemasov/<u></u>libraries/gromacs'<br>
</blockquote>
<br>
And get a message (successful part was cut):<br>
...<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
-- Performing Test HAVE_DLOPEN<br>
-- Performing Test HAVE_DLOPEN - Success<br>
-- Checking for dlopen - found<br>
-- Found the ability to use plug-ins when building shared libaries, so will compile to use plug-ins (e.g. to read VMD-supported file formats).<br>
-- Checking for suitable VMD version<br>
-- VMD plugins not found. Path to VMD can be set with VMDDIR.<br>
CMake Error at src/gmxlib/CMakeLists.txt:102 (list):<br>
list sub-command REMOVE_ITEM requires two or more arguments.<br>
<br>
<br>
CMake Error at src/gmxlib/CMakeLists.txt:105 (list):<br>
list sub-command REMOVE_ITEM requires two or more arguments.<br>
<br>
<br>
You have called ADD_LIBRARY for library md without any source files. This typically indicates a problem with your CMakeLists.txt file<br>
-- Configuring incomplete, errors occurred!<br>
See also "/ifs/home/bionet/alemasov/<u></u>libraries/gromacs-4.6.3/build/<u></u>CMakeFiles/CMakeOutput.log".<br>
See also "/ifs/home/bionet/alemasov/<u></u>libraries/gromacs-4.6.3/build/<u></u>CMakeFiles/CMakeError.log".<br>
</blockquote>
<br>
Below is a content of the src/gmxlib/CMakeLists.txt:99-<u></u>105:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
99 : # Files called xxx_test.c are test drivers with a main() function for module xxx.c,<br>
100: # so they should not be included in the library<br>
101: file(GLOB_RECURSE NOT_GMXLIB_SOURCES *_test.c *\#*)<br>
102: list(REMOVE_ITEM GMXLIB_SOURCES ${NOT_GMXLIB_SOURCES})<br>
103: # Selection has test_ instead of _test.<br>
104: file(GLOB SELECTION_TEST selection/test*)<br>
105: list(REMOVE_ITEM GMXLIB_SOURCES ${SELECTION_TEST})<br>
</blockquote>
<br>
The target system:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Linux <a href="http://nks-g6.sscc.ru" target="_blank">nks-g6.sscc.ru</a> 2.6.18-164.el5 #1 SMP Tue Aug 18 15:51:48 EDT 2009 x86_64 x86_64 x86_64 GNU/Linux<br>
Red Hat Enterprise Linux Server release 5.4 (Tikanga)<br>
model name : Intel(R) Xeon(R) CPU X5560 @ 2.80GHz<br>
</blockquote>
<br>
Please help me to sort out the issue. In fact my primary aim was to build GPU-version of the GROMACS, but I can not do it even for the simplest variant.<span class="HOEnZb"><font color="#888888"><br>
-- <br>
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</font></span></blockquote></div><br></div>