Task 38699931

Name test_90-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0612_0
Workunit 31640278
Created 6 Nov 2026, 5:21:45 UTC
Sent 6 Nov 2026, 5:21:47 UTC
Report deadline 11 Nov 2026, 5:21:47 UTC
Received 6 Nov 2026, 6:17:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 55 min 30 sec
CPU time 54 min 4 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 733.38 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>
06:22:30 (17620): wrapper (7.9.26016): starting
06:22:30 (17620): 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
06:22:31 (17620): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:22:31 (17620): 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\0\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\0\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
07:17:27 (17620): C:/Windows/system32/cmd.exe exited; CPU time 3244.062500
07:17:27 (17620): 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: 52914615 bytes.
Dumping objects ->
{3835231} normal block at 0x000002522CEF8C90, 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 0x000002522CEF8EC0, 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 0x000002522CEF97F0, 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 0x000002522CEF8FA0, 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 0x000002522CEF9710, 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 0x000002522EC28940, 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 0x000002522CF2D650, 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 0x000002522CECD8A0, 8 bytes long.
 Data: <  ?-R   > 00 00 3F 2D 52 02 00 00 
{3834545} normal block at 0x000002522CF2D720, 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 0x000002522CECE1B0, 8 bytes long.
 Data: <&#208;M&#200;.R   > D0 4D C8 2E 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002522CED0C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002522CEC6E80, 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 0x000002522CED5EA0, 16 bytes long.
 Data: <&#248;X&#237;,R           > F8 58 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002522CED5A40, 16 bytes long.
 Data: <&#208;X&#237;,R           > D0 58 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002522CECF930, 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 0x000002522CED5E50, 16 bytes long.
 Data: <&#168;X&#237;,R           > A8 58 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002522CED66C0, 16 bytes long.
 Data: < X&#237;,R           > 80 58 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002522CED6620, 16 bytes long.
 Data: <XX&#237;,R           > 58 58 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002522CED6990, 16 bytes long.
 Data: <0X&#237;,R           > 30 58 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002522CED38F0, 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 0x000002522CED6940, 16 bytes long.
 Data: <&#184;T&#237;,R           > B8 54 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002522CECF7B0, 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 0x000002522CED5CC0, 16 bytes long.
 Data: < T&#237;,R           > 90 54 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002522CED5F90, 16 bytes long.
 Data: <hT&#237;,R           > 68 54 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002522CED5E00, 16 bytes long.
 Data: <@T&#237;,R           > 40 54 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002522CED6490, 16 bytes long.
 Data: < T&#237;,R           > 18 54 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002522CED63F0, 16 bytes long.
 Data: <&#240;S&#237;,R           > F0 53 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002522CED67B0, 16 bytes long.
 Data: <&#200;S&#237;,R           > C8 53 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002522CECED90, 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 0x000002522CED5C70, 16 bytes long.
 Data: <&#160;S&#237;,R           > A0 53 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002522CED53A0, 320 bytes long.
 Data: <p\&#237;,R    &#237;&#236;,R   > 70 5C ED 2C 52 02 00 00 90 ED EC 2C 52 02 00 00 
{277} normal block at 0x000002522CED6080, 16 bytes long.
 Data: < X&#237;,R           > 10 58 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002522CED5D60, 16 bytes long.
 Data: <&#232;W&#237;,R           > E8 57 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002522CECF330, 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 0x000002522CED6210, 16 bytes long.
 Data: <&#192;W&#237;,R           > C0 57 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002522CECED30, 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 0x000002522CED5D10, 16 bytes long.
 Data: < W&#237;,R           > 08 57 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002522CED68F0, 16 bytes long.
 Data: <&#224;V&#237;,R           > E0 56 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002522CED6580, 16 bytes long.
 Data: <&#184;V&#237;,R           > B8 56 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002522CED5DB0, 16 bytes long.
 Data: < V&#237;,R           > 90 56 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002522CED6670, 16 bytes long.
 Data: <hV&#237;,R           > 68 56 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002522CECD490, 16 bytes long.
 Data: <@V&#237;,R           > 40 56 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002522CECD3A0, 16 bytes long.
 Data: <`9&#237;,R           > 60 39 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002522CED3960, 40 bytes long.
 Data: <&#160;&#211;&#236;,R   @&#137;&#194;.R   > A0 D3 EC 2C 52 02 00 00 40 89 C2 2E 52 02 00 00 
{263} normal block at 0x000002522CECDDF0, 16 bytes long.
 Data: < V&#237;,R           > 20 56 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002522CECD620, 16 bytes long.
 Data: <&#248;U&#237;,R           > F8 55 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002522CECF150, 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 0x000002522CECD990, 16 bytes long.
 Data: <&#208;U&#237;,R           > D0 55 ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002522CED55D0, 992 bytes long.
 Data: < &#217;&#236;,R   P&#241;&#236;,R   > 90 D9 EC 2C 52 02 00 00 50 F1 EC 2C 52 02 00 00 
{95} normal block at 0x000002522CECF690, 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 0x000002522CECDC10, 16 bytes long.
 Data: <P=&#237;,R           > 50 3D ED 2C 52 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002522CED3D50, 40 bytes long.
 Data: < &#220;&#236;,R    &#246;&#236;,R   > 10 DC EC 2C 52 02 00 00 90 F6 EC 2C 52 02 00 00 
{72} normal block at 0x000002522CECDEE0, 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 0x000002522CECE110, 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 0x000002522CECD530, 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 0x000002522CECDE90, 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 0x000002522CECDC60, 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 0x000002522CECE0C0, 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 0x000002522CECE070, 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 0x000002522CECD9E0, 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 0x000002522CECD440, 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 0x000002522CECD760, 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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