Task 38684348

Name test_186-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6840_0
Workunit 31625863
Created 27 Oct 2026, 15:56:01 UTC
Sent 27 Oct 2026, 15:56:02 UTC
Report deadline 1 Nov 2026, 15:56:02 UTC
Received 27 Oct 2026, 16:30:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 11 sec
CPU time 22 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.36 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:07:59 (4316): wrapper (7.9.26016): starting
17:07:59 (4316): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
17:08:00 (4316): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:08:00 (4316): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:30:30 (4316): C:/Windows/system32/cmd.exe exited; CPU time 1368.937500
17:30:30 (4316): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 23137429 bytes.
Dumping objects ->
{3835329} normal block at 0x00000148B6817850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x00000148B6817620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x00000148B6817150, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x00000148B6817230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x00000148B6817690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x00000148B681D460, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x00000148B4B1AF40, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835240} normal block at 0x00000148B4AAEBF0, 8 bytes long.
 Data: <  &#245;&#180;H   > 00 00 F5 B4 48 01 00 00 
{3834594} normal block at 0x00000148B4B1AB30, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000148B4AAE330, 8 bytes long.
 Data: <&#160;Y &#182;H   > A0 59 81 B6 48 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000148B4AB1F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000148B4AA76A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000148B4AB6F20, 16 bytes long.
 Data: <&#232;t&#171;&#180;H           > E8 74 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000148B4AB6610, 16 bytes long.
 Data: <&#192;t&#171;&#180;H           > C0 74 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000148B4AAFC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000148B4AB6BB0, 16 bytes long.
 Data: < t&#171;&#180;H           > 98 74 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000148B4AB6E80, 16 bytes long.
 Data: <pt&#171;&#180;H           > 70 74 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000148B4AB6B60, 16 bytes long.
 Data: <Ht&#171;&#180;H           > 48 74 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000148B4AB6B10, 16 bytes long.
 Data: < t&#171;&#180;H           > 20 74 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000148B4AB4E10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000148B4AB6C00, 16 bytes long.
 Data: < &#234;&#169;&#180;H           > 18 EA A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000148B4AAFF80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000148B4AB7100, 16 bytes long.
 Data: <&#240;&#233;&#169;&#180;H           > F0 E9 A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000148B4AB6E30, 16 bytes long.
 Data: <&#200;&#233;&#169;&#180;H           > C8 E9 A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000148B4AB6AC0, 16 bytes long.
 Data: <&#160;&#233;&#169;&#180;H           > A0 E9 A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000148B4AB6ED0, 16 bytes long.
 Data: <x&#233;&#169;&#180;H           > 78 E9 A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000148B4AB6A20, 16 bytes long.
 Data: <P&#233;&#169;&#180;H           > 50 E9 A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000148B4AB6430, 16 bytes long.
 Data: <(&#233;&#169;&#180;H           > 28 E9 A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000148B4AAFDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000148B4AB6A70, 16 bytes long.
 Data: < &#233;&#169;&#180;H           > 00 E9 A9 B4 48 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000148B4A9E900, 320 bytes long.
 Data: <pj&#171;&#180;H   &#160;&#253;&#170;&#180;H   > 70 6A AB B4 48 01 00 00 A0 FD AA B4 48 01 00 00 
{279} normal block at 0x00000148B4AB6D40, 16 bytes long.
 Data: < t&#171;&#180;H           > 00 74 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000148B4AB6700, 16 bytes long.
 Data: <&#216;s&#171;&#180;H           > D8 73 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000148B4AAFA40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000148B4AB6250, 16 bytes long.
 Data: <&#176;s&#171;&#180;H           > B0 73 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000148B4AB0280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000148B4AB6930, 16 bytes long.
 Data: <&#248;r&#171;&#180;H           > F8 72 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000148B4AB6200, 16 bytes long.
 Data: <&#208;r&#171;&#180;H           > D0 72 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000148B4AB7150, 16 bytes long.
 Data: <&#168;r&#171;&#180;H           > A8 72 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000148B4AB63E0, 16 bytes long.
 Data: < r&#171;&#180;H           > 80 72 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000148B4AB67F0, 16 bytes long.
 Data: <Xr&#171;&#180;H           > 58 72 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000148B4AB62F0, 16 bytes long.
 Data: <0r&#171;&#180;H           > 30 72 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000148B4AB6D90, 16 bytes long.
 Data: <&#208;H&#171;&#180;H           > D0 48 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000148B4AB48D0, 40 bytes long.
 Data: < m&#171;&#180;H   `&#212; &#182;H   > 90 6D AB B4 48 01 00 00 60 D4 81 B6 48 01 00 00 
{265} normal block at 0x00000148B4AB6DE0, 16 bytes long.
 Data: < r&#171;&#180;H           > 10 72 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000148B4AB6890, 16 bytes long.
 Data: <&#232;q&#171;&#180;H           > E8 71 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000148B4AB0640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000148B4AB69D0, 16 bytes long.
 Data: <&#192;q&#171;&#180;H           > C0 71 AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000148B4AB71C0, 992 bytes long.
 Data: <&#208;i&#171;&#180;H   @ &#171;&#180;H   > D0 69 AB B4 48 01 00 00 40 06 AB B4 48 01 00 00 
{97} normal block at 0x00000148B4AB01C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000148B4AAE8D0, 16 bytes long.
 Data: <&#192;L&#171;&#180;H           > C0 4C AB B4 48 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000148B4AB4CC0, 40 bytes long.
 Data: <&#208;&#232;&#170;&#180;H   &#192; &#171;&#180;H   > D0 E8 AA B4 48 01 00 00 C0 01 AB B4 48 01 00 00 
{74} normal block at 0x00000148B4AAE0B0, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000148B4AAE740, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000148B4AAE650, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000148B4AAE380, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000148B4AAEBA0, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000148B4AAE6A0, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000148B4AAE010, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000148B4AAE6F0, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000148B4AAEB50, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000148B4AAE1F0, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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