Task 38699837

Name test_659-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6261_0
Workunit 31640199
Created 5 Nov 2026, 17:49:19 UTC
Sent 5 Nov 2026, 17:49:23 UTC
Report deadline 10 Nov 2026, 17:49:23 UTC
Received 5 Nov 2026, 19:41:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 1 hours 12 min 31 sec
CPU time 1 hours 10 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.08 MB
Peak swap size 6.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:29:24 (15068): wrapper (7.9.26016): starting
19:29:24 (15068): 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
19:29:25 (15068): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:29:25 (15068): 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\1\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\1\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
20:41:20 (15068): C:/Windows/system32/cmd.exe exited; CPU time 4231.218750
20:41:20 (15068): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 67272815 bytes.
Dumping objects ->
{3835231} normal block at 0x0000027A0E7E9550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000027A0E7E8F30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000027A0E7E8C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x0000027A0E7E95C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000027A0E7E96A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000027A104564C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000027A0E81D310, 141 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) : {3835142} normal block at 0x0000027A0E7BE250, 8 bytes long.
 Data: <  &#190; z   > 00 00 BE 0E 7A 02 00 00 
{3834545} normal block at 0x0000027A0E81D240, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000027A0E7BD7B0, 8 bytes long.
 Data: <&#208;MK z   > D0 4D 4B 10 7A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027A0E7C1A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027A0E7B6340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000027A0E7C6580, 16 bytes long.
 Data: <&#248;X| z           > F8 58 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027A0E7C6350, 16 bytes long.
 Data: <&#208;X| z           > D0 58 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027A0E7BF6F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000027A0E7C6490, 16 bytes long.
 Data: <&#168;X| z           > A8 58 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027A0E7C6940, 16 bytes long.
 Data: < X| z           > 80 58 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027A0E7C5E00, 16 bytes long.
 Data: <XX| z           > 58 58 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027A0E7C6530, 16 bytes long.
 Data: <0X| z           > 30 58 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027A0E7C3A40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000027A0E7C5C70, 16 bytes long.
 Data: <&#184;T| z           > B8 54 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027A0E7BF270, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000027A0E7C6710, 16 bytes long.
 Data: < T| z           > 90 54 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027A0E7C62B0, 16 bytes long.
 Data: <hT| z           > 68 54 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027A0E7C5DB0, 16 bytes long.
 Data: <@T| z           > 40 54 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027A0E7C5B80, 16 bytes long.
 Data: < T| z           > 18 54 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027A0E7C5A90, 16 bytes long.
 Data: <&#240;S| z           > F0 53 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027A0E7C67B0, 16 bytes long.
 Data: <&#200;S| z           > C8 53 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027A0E7BF5D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000027A0E7C5EA0, 16 bytes long.
 Data: <&#160;S| z           > A0 53 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027A0E7C53A0, 320 bytes long.
 Data: <&#160;^| z   &#208;&#245;{ z   > A0 5E 7C 0E 7A 02 00 00 D0 F5 7B 0E 7A 02 00 00 
{277} normal block at 0x0000027A0E7C5C20, 16 bytes long.
 Data: < X| z           > 10 58 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027A0E7C6170, 16 bytes long.
 Data: <&#232;W| z           > E8 57 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027A0E7BF510, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000027A0E7C5B30, 16 bytes long.
 Data: <&#192;W| z           > C0 57 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027A0E7BF570, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000027A0E7C66C0, 16 bytes long.
 Data: < W| z           > 08 57 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027A0E7C6030, 16 bytes long.
 Data: <&#224;V| z           > E0 56 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027A0E7C6620, 16 bytes long.
 Data: <&#184;V| z           > B8 56 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027A0E7C5D60, 16 bytes long.
 Data: < V| z           > 90 56 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027A0E7C5BD0, 16 bytes long.
 Data: <hV| z           > 68 56 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027A0E7BD620, 16 bytes long.
 Data: <@V| z           > 40 56 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027A0E7BD3A0, 16 bytes long.
 Data: <&#160;7| z           > A0 37 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027A0E7C37A0, 40 bytes long.
 Data: <&#160;&#211;{ z   &#192;dE z   > A0 D3 7B 0E 7A 02 00 00 C0 64 45 10 7A 02 00 00 
{263} normal block at 0x0000027A0E7BD300, 16 bytes long.
 Data: < V| z           > 20 56 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027A0E7BDBC0, 16 bytes long.
 Data: <&#248;U| z           > F8 55 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027A0E7BF4B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000027A0E7BD440, 16 bytes long.
 Data: <&#208;U| z           > D0 55 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027A0E7C55D0, 992 bytes long.
 Data: <@&#212;{ z   &#176;&#244;{ z   > 40 D4 7B 0E 7A 02 00 00 B0 F4 7B 0E 7A 02 00 00 
{95} normal block at 0x0000027A0E7BF3F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000027A0E7BDD50, 16 bytes long.
 Data: < 8| z           > 80 38 7C 0E 7A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000027A0E7C3880, 40 bytes long.
 Data: <P&#221;{ z   &#240;&#243;{ z   > 50 DD 7B 0E 7A 02 00 00 F0 F3 7B 0E 7A 02 00 00 
{72} normal block at 0x0000027A0E7BE160, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027A0E7BE070, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027A0E7BDD00, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027A0E7BDB20, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027A0E7BD940, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027A0E7BD800, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027A0E7BD6C0, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027A0E7BD4E0, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027A0E7BD670, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027A0E7BDDA0, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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