Task 38655865

Name test_766-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4433_0
Workunit 31599616
Created 24 Oct 2026, 10:05:10 UTC
Sent 24 Oct 2026, 10:05:42 UTC
Report deadline 29 Oct 2026, 10:05:42 UTC
Received 24 Oct 2026, 11:06:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 51 min 22 sec
CPU time 40 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.21 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:17:15 (17864): wrapper (7.9.26016): starting
12:17:15 (17864): 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
12:17:17 (17864): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:17:17 (17864): 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
13:05:50 (17864): C:/Windows/system32/cmd.exe exited; CPU time 2440.156250
13:05:50 (17864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 65803854 bytes.
Dumping objects ->
{3835369} normal block at 0x0000026742120DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x0000026742120990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835347} normal block at 0x0000026742120920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835336} normal block at 0x0000026742120A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835325} normal block at 0x0000026742121480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835294} normal block at 0x000002674223AFE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x0000026742251BE0, 85 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) : {3835280} normal block at 0x00000267406A9C80, 8 bytes long.
 Data: <   Bg   > 00 00 13 42 67 02 00 00 
{3834623} normal block at 0x0000026742250380, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x00000267406A9EB0, 8 bytes long.
 Data: <0&#135;)Bg   > 30 87 29 42 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000267406B4DE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000267406B7DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x00000267406B6640, 16 bytes long.
 Data: <&#184;vk@g           > B8 76 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000267406B67D0, 16 bytes long.
 Data: < vk@g           > 90 76 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000267406AE640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x00000267406B6050, 16 bytes long.
 Data: <hvk@g           > 68 76 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000267406B5F60, 16 bytes long.
 Data: <@vk@g           > 40 76 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000267406B6410, 16 bytes long.
 Data: < vk@g           > 18 76 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000267406B6370, 16 bytes long.
 Data: <&#240;uk@g           > F0 75 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000267406AF570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x00000267406B5EC0, 16 bytes long.
 Data: <&#184;\k@g           > B8 5C 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000267406AEE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x00000267406B6910, 16 bytes long.
 Data: < \k@g           > 90 5C 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000267406B6320, 16 bytes long.
 Data: <h\k@g           > 68 5C 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000267406B65F0, 16 bytes long.
 Data: <@\k@g           > 40 5C 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000267406B6780, 16 bytes long.
 Data: < \k@g           > 18 5C 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000267406B64B0, 16 bytes long.
 Data: <&#240;[k@g           > F0 5B 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000267406B6000, 16 bytes long.
 Data: <&#200;[k@g           > C8 5B 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000267406AE280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x00000267406B5E70, 16 bytes long.
 Data: <&#160;[k@g           > A0 5B 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000267406B5BA0, 320 bytes long.
 Data: <p^k@g    &#226;j@g   > 70 5E 6B 40 67 02 00 00 80 E2 6A 40 67 02 00 00 
{290} normal block at 0x00000267406B6CD0, 16 bytes long.
 Data: <&#208;uk@g           > D0 75 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000267406B6C30, 16 bytes long.
 Data: <&#168;uk@g           > A8 75 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000267406AE9A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x00000267406B6190, 16 bytes long.
 Data: < uk@g           > 80 75 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000267406AE520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x00000267406B6690, 16 bytes long.
 Data: <&#200;tk@g           > C8 74 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000267406B6140, 16 bytes long.
 Data: <&#160;tk@g           > A0 74 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000267406B5FB0, 16 bytes long.
 Data: <xtk@g           > 78 74 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000267406B6C80, 16 bytes long.
 Data: <Ptk@g           > 50 74 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000267406B6280, 16 bytes long.
 Data: <(tk@g           > 28 74 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000267406B6D20, 16 bytes long.
 Data: < tk@g           > 00 74 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000267406B6730, 16 bytes long.
 Data: <&#224;&#245;j@g           > E0 F5 6A 40 67 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000267406AF5E0, 40 bytes long.
 Data: <0gk@g   &#224;&#175;#Bg   > 30 67 6B 40 67 02 00 00 E0 AF 23 42 67 02 00 00 
{276} normal block at 0x00000267406B63C0, 16 bytes long.
 Data: <&#224;sk@g           > E0 73 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000267406B66E0, 16 bytes long.
 Data: <&#184;sk@g           > B8 73 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000267406AE1C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x00000267406B6BE0, 16 bytes long.
 Data: < sk@g           > 90 73 6B 40 67 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000267406B7390, 992 bytes long.
 Data: <&#224;kk@g   &#192;&#225;j@g   > E0 6B 6B 40 67 02 00 00 C0 E1 6A 40 67 02 00 00 
{108} normal block at 0x00000267406AE6A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x00000267406AA2C0, 16 bytes long.
 Data: < &#244;j@g           > 90 F4 6A 40 67 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000267406AF490, 40 bytes long.
 Data: <&#192;&#162;j@g   &#160;&#230;j@g   > C0 A2 6A 40 67 02 00 00 A0 E6 6A 40 67 02 00 00 
{85} normal block at 0x00000267406AA090, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000267406A9E60, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000267406AA180, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000267406A96E0, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000267406A9B90, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000267406A9C30, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000267406A99B0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000267406A95F0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000267406A9460, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000267406A9370, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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