Task 38653415

Name test_884-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND0240_0
Workunit 31597376
Created 24 Oct 2026, 5:33:50 UTC
Sent 24 Oct 2026, 5:37:53 UTC
Report deadline 29 Oct 2026, 5:37:53 UTC
Received 24 Oct 2026, 6:15:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616957
Run time 26 min 15 sec
CPU time 24 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,295.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.02 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:49:39 (40444): wrapper (7.9.26016): starting
07:49:39 (40444): 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
07:49:40 (40444): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:49:40 (40444): 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
08:15:16 (40444): C:/Windows/system32/cmd.exe exited; CPU time 1481.437500
08:15:16 (40444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 27532983 bytes.
Dumping objects ->
{3835266} normal block at 0x000001EB872D6100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001EB872D6020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001EB872D6090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000001EB872D5E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001EB872D5D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000001EB8918A7B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x000001EB872D00C0, 8 bytes long.
 Data: <  }&#135;&#235;   > 00 00 7D 87 EB 01 00 00 
{3833963} normal block at 0x000001EB872CF530, 8 bytes long.
 Data: <0&#235;:&#135;&#235;   > 30 EB 3A 87 EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001EB872C61A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EB872BE710, 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 0x000001EB872D4DD0, 16 bytes long.
 Data: <X[-&#135;&#235;           > 58 5B 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EB872D4A10, 16 bytes long.
 Data: <0[-&#135;&#235;           > 30 5B 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EB872D1440, 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 0x000001EB872D4880, 16 bytes long.
 Data: < [-&#135;&#235;           > 08 5B 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EB872D4830, 16 bytes long.
 Data: <&#224;Z-&#135;&#235;           > E0 5A 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EB872D4790, 16 bytes long.
 Data: <&#184;Z-&#135;&#235;           > B8 5A 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EB872D45B0, 16 bytes long.
 Data: < Z-&#135;&#235;           > 90 5A 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EB872D5F40, 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 0x000001EB872D4560, 16 bytes long.
 Data: <x&#183;+&#135;&#235;           > 78 B7 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EB872D0DE0, 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 0x000001EB872D4D30, 16 bytes long.
 Data: <P&#183;+&#135;&#235;           > 50 B7 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EB872D50A0, 16 bytes long.
 Data: <(&#183;+&#135;&#235;           > 28 B7 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EB872D4510, 16 bytes long.
 Data: < &#183;+&#135;&#235;           > 00 B7 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EB872D44C0, 16 bytes long.
 Data: <&#216;&#182;+&#135;&#235;           > D8 B6 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EB872D4C40, 16 bytes long.
 Data: <&#176;&#182;+&#135;&#235;           > B0 B6 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EB872D4740, 16 bytes long.
 Data: < &#182;+&#135;&#235;           > 88 B6 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB872D0D80, 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 0x000001EB872D4BF0, 16 bytes long.
 Data: <`&#182;+&#135;&#235;           > 60 B6 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EB872BB660, 320 bytes long.
 Data: <&#240;K-&#135;&#235;     -&#135;&#235;   > F0 4B 2D 87 EB 01 00 00 80 0D 2D 87 EB 01 00 00 
{277} normal block at 0x000001EB872D53C0, 16 bytes long.
 Data: <pZ-&#135;&#235;           > 70 5A 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EB872D4600, 16 bytes long.
 Data: <HZ-&#135;&#235;           > 48 5A 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EB872D0840, 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 0x000001EB872D4B50, 16 bytes long.
 Data: < Z-&#135;&#235;           > 20 5A 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EB872D1200, 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 0x000001EB872D52D0, 16 bytes long.
 Data: <hY-&#135;&#235;           > 68 59 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EB872D4D80, 16 bytes long.
 Data: <@Y-&#135;&#235;           > 40 59 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EB872D50F0, 16 bytes long.
 Data: < Y-&#135;&#235;           > 18 59 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EB872D49C0, 16 bytes long.
 Data: <&#240;X-&#135;&#235;           > F0 58 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EB872D4CE0, 16 bytes long.
 Data: <&#200;X-&#135;&#235;           > C8 58 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EB872D5320, 16 bytes long.
 Data: <&#160;X-&#135;&#235;           > A0 58 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EB872D46F0, 16 bytes long.
 Data: <&#224;a-&#135;&#235;           > E0 61 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EB872D61E0, 40 bytes long.
 Data: <&#240;F-&#135;&#235;   &#176;&#167; &#137;&#235;   > F0 46 2D 87 EB 01 00 00 B0 A7 18 89 EB 01 00 00 
{263} normal block at 0x000001EB872D47E0, 16 bytes long.
 Data: < X-&#135;&#235;           > 80 58 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EB872D5370, 16 bytes long.
 Data: <XX-&#135;&#235;           > 58 58 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EB872D1080, 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 0x000001EB872D4650, 16 bytes long.
 Data: <0X-&#135;&#235;           > 30 58 2D 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EB872D5830, 992 bytes long.
 Data: <PF-&#135;&#235;     -&#135;&#235;   > 50 46 2D 87 EB 01 00 00 80 10 2D 87 EB 01 00 00 
{95} normal block at 0x000001EB872D12C0, 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 0x000001EB872CF800, 16 bytes long.
 Data: < &#222;+&#135;&#235;           > 80 DE 2B 87 EB 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001EB872BDE80, 40 bytes long.
 Data: < &#248;,&#135;&#235;   &#192; -&#135;&#235;   > 00 F8 2C 87 EB 01 00 00 C0 12 2D 87 EB 01 00 00 
{72} normal block at 0x000001EB872CF620, 16 bytes long.
 Data: < &#234;\C&#247;           > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EB872CFEE0, 16 bytes long.
 Data: <@&#233;\C&#247;           > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EB872CFD00, 16 bytes long.
 Data: <&#248;WYC&#247;           > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EB872CF760, 16 bytes long.
 Data: <&#216;WYC&#247;           > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EB872CFE40, 16 bytes long.
 Data: <P YC&#247;           > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EB872CF850, 16 bytes long.
 Data: <0 YC&#247;           > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EB872CFF30, 16 bytes long.
 Data: <&#224; YC&#247;           > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EB872D0390, 16 bytes long.
 Data: <  YC&#247;           > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EB872D0070, 16 bytes long.
 Data: <p YC&#247;           > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EB872CF8F0, 16 bytes long.
 Data: < &#192;WC&#247;           > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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