Task 38698371

Name test_201-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3663_0
Workunit 31638892
Created 2 Nov 2026, 11:27:06 UTC
Sent 2 Nov 2026, 11:27:13 UTC
Report deadline 7 Nov 2026, 11:27:13 UTC
Received 2 Nov 2026, 12:19:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637713
Run time 50 min 51 sec
CPU time 48 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.07 MB
Peak swap size 11.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:28:20 (11544): wrapper (7.9.26016): starting
11:28:20 (11544): 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
11:28:21 (11544): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:28:21 (11544): 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
12:18:23 (11544): C:/Windows/system32/cmd.exe exited; CPU time 2884.796875
12:18:23 (11544): 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: 75591125 bytes.
Dumping objects ->
{3835571} normal block at 0x0000021F305B5560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x0000021F305B5D40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835549} normal block at 0x0000021F305B5090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835538} normal block at 0x0000021F2E7B5870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x0000021F2E7B5720, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835496} normal block at 0x0000021F3052B040, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835485} normal block at 0x0000021F2E80C200, 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) : {3835482} normal block at 0x0000021F2E7AE320, 8 bytes long.
 Data: <  &#224;.    > 00 00 E0 2E 1F 02 00 00 
{3834700} normal block at 0x0000021F2E80D170, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000021F2E7ADB00, 8 bytes long.
 Data: <P&#235;C0    > 50 EB 43 30 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021F2E7B1D30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021F2E7A68B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000021F2E7B5E40, 16 bytes long.
 Data: <&#232;s{.            > E8 73 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021F2E7B5DF0, 16 bytes long.
 Data: <&#192;s{.            > C0 73 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021F2E7B0240, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000021F2E7B5D50, 16 bytes long.
 Data: < s{.            > 98 73 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021F2E7B6BB0, 16 bytes long.
 Data: <ps{.            > 70 73 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021F2E7B6B60, 16 bytes long.
 Data: <Hs{.            > 48 73 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021F2E7B6B10, 16 bytes long.
 Data: < s{.            > 20 73 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021F2E7B5800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000021F2E7B6C50, 16 bytes long.
 Data: < &#238;y.            > 98 EE 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021F2E7B01E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000021F2E7B6C00, 16 bytes long.
 Data: <p&#238;y.            > 70 EE 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021F2E7B6A70, 16 bytes long.
 Data: <H&#238;y.            > 48 EE 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021F2E7B5DA0, 16 bytes long.
 Data: < &#238;y.            > 20 EE 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021F2E7B69D0, 16 bytes long.
 Data: <&#248;&#237;y.            > F8 ED 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021F2E7B6930, 16 bytes long.
 Data: <&#208;&#237;y.            > D0 ED 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021F2E7B68E0, 16 bytes long.
 Data: <&#168;&#237;y.            > A8 ED 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021F2E7B0720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000021F2E7B6110, 16 bytes long.
 Data: < &#237;y.            > 80 ED 79 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021F2E79ED80, 320 bytes long.
 Data: < a{.      {.    > 10 61 7B 2E 1F 02 00 00 20 07 7B 2E 1F 02 00 00 
{278} normal block at 0x0000021F2E7B5F80, 16 bytes long.
 Data: < s{.            > 00 73 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021F2E7B6890, 16 bytes long.
 Data: <&#216;r{.            > D8 72 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021F2E7B00C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000021F2E7B60C0, 16 bytes long.
 Data: <&#176;r{.            > B0 72 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021F2E7AFDC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000021F2E7B6570, 16 bytes long.
 Data: <&#248;q{.            > F8 71 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021F2E7B6520, 16 bytes long.
 Data: <&#208;q{.            > D0 71 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021F2E7B62A0, 16 bytes long.
 Data: <&#168;q{.            > A8 71 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021F2E7B6AC0, 16 bytes long.
 Data: < q{.            > 80 71 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021F2E7B5D00, 16 bytes long.
 Data: <Xq{.            > 58 71 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021F2E7B6980, 16 bytes long.
 Data: <0q{.            > 30 71 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021F2E7B6840, 16 bytes long.
 Data: < [{.            > 80 5B 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021F2E7B5B80, 40 bytes long.
 Data: <@h{.    @&#176;R0    > 40 68 7B 2E 1F 02 00 00 40 B0 52 30 1F 02 00 00 
{264} normal block at 0x0000021F2E7B6070, 16 bytes long.
 Data: < q{.            > 10 71 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021F2E7B6020, 16 bytes long.
 Data: <&#232;p{.            > E8 70 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021F2E7B07E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000021F2E7B67F0, 16 bytes long.
 Data: <&#192;p{.            > C0 70 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021F2E7B70C0, 992 bytes long.
 Data: <&#240;g{.    &#224; {.    > F0 67 7B 2E 1F 02 00 00 E0 07 7B 2E 1F 02 00 00 
{96} normal block at 0x0000021F2E7AFB20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000021F2E7ADB50, 16 bytes long.
 Data: <&#160;Z{.            > A0 5A 7B 2E 1F 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000021F2E7B5AA0, 40 bytes long.
 Data: <P&#219;z.     &#251;z.    > 50 DB 7A 2E 1F 02 00 00 20 FB 7A 2E 1F 02 00 00 
{73} normal block at 0x0000021F2E7AE8C0, 16 bytes long.
 Data: < &#234; &#190;&#247;           > 80 EA 9D BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021F2E7AE190, 16 bytes long.
 Data: <@&#233; &#190;&#247;           > 40 E9 9D BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021F2E7ADEC0, 16 bytes long.
 Data: <&#248;W&#154;&#190;&#247;           > F8 57 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021F2E7ADE70, 16 bytes long.
 Data: <&#216;W&#154;&#190;&#247;           > D8 57 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021F2E7AE870, 16 bytes long.
 Data: <P &#154;&#190;&#247;           > 50 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021F2E7ADA10, 16 bytes long.
 Data: <0 &#154;&#190;&#247;           > 30 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021F2E7AE820, 16 bytes long.
 Data: <&#224; &#154;&#190;&#247;           > E0 02 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021F2E7AE7D0, 16 bytes long.
 Data: <  &#154;&#190;&#247;           > 10 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021F2E7ADA60, 16 bytes long.
 Data: <p &#154;&#190;&#247;           > 70 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021F2E7AE280, 16 bytes long.
 Data: < &#192; &#190;&#247;           > 18 C0 98 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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