Task 38684990

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5245_0
Workunit 31626487
Created 27 Oct 2026, 18:54:20 UTC
Sent 27 Oct 2026, 18:54:22 UTC
Report deadline 1 Nov 2026, 18:54:22 UTC
Received 27 Oct 2026, 19:22:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 21 min 35 sec
CPU time 20 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.25 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:55:34 (63056): wrapper (7.9.26016): starting
11:55:34 (63056): 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
11:55:35 (63056): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:55:35 (63056): 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
12:16:17 (63056): C:/Windows/system32/cmd.exe exited; CPU time 1230.000000
12:16:17 (63056): 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: 23229929 bytes.
Dumping objects ->
{3835219} normal block at 0x00000214431E7C60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000214431E75D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000214431E79C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000214431E7950, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000214431E7870, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000021444F5AB90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002144323FA70, 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) : {3835130} normal block at 0x00000214431DEA40, 8 bytes long.
 Data: <  iC    > 00 00 69 43 14 02 00 00 
{3834533} normal block at 0x000002144323FC10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000214431DE360, 8 bytes long.
 Data: <&#208;n C    > D0 6E 1E 43 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000214431E1E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000214431D1890, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000214431E8840, 16 bytes long.
 Data: <&#168;&#147; C            > A8 93 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000214431E8250, 16 bytes long.
 Data: < &#147; C            > 80 93 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000214431DF540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000214431E8B60, 16 bytes long.
 Data: <X&#147; C            > 58 93 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000214431E8340, 16 bytes long.
 Data: <0&#147; C            > 30 93 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214431E82A0, 16 bytes long.
 Data: < &#147; C            > 08 93 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000214431E8110, 16 bytes long.
 Data: <&#224;&#146; C            > E0 92 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000214431E78E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000214431E8D90, 16 bytes long.
 Data: <ht C            > 68 74 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000214431DFA20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000214431E8F70, 16 bytes long.
 Data: <@t C            > 40 74 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000214431E8BB0, 16 bytes long.
 Data: < t C            > 18 74 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214431E8F20, 16 bytes long.
 Data: <&#240;s C            > F0 73 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000214431E8A70, 16 bytes long.
 Data: <&#200;s C            > C8 73 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000214431E80C0, 16 bytes long.
 Data: <&#160;s C            > A0 73 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000214431E8E80, 16 bytes long.
 Data: <xs C            > 78 73 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000214431E0440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000214431E8430, 16 bytes long.
 Data: <Ps C            > 50 73 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000214431E7350, 320 bytes long.
 Data: <0&#132; C    @  C    > 30 84 1E 43 14 02 00 00 40 04 1E 43 14 02 00 00 
{271} normal block at 0x00000214431E8930, 16 bytes long.
 Data: <&#192;&#146; C            > C0 92 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000214431E8B10, 16 bytes long.
 Data: < &#146; C            > 98 92 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000214431DFC00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000214431E8980, 16 bytes long.
 Data: <p&#146; C            > 70 92 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000214431DFF60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000214431E86B0, 16 bytes long.
 Data: <&#184;&#145; C            > B8 91 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214431E8390, 16 bytes long.
 Data: < &#145; C            > 90 91 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000214431E83E0, 16 bytes long.
 Data: <h&#145; C            > 68 91 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214431E8660, 16 bytes long.
 Data: <@&#145; C            > 40 91 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000214431E8DE0, 16 bytes long.
 Data: < &#145; C            > 18 91 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000214431E8570, 16 bytes long.
 Data: <&#240;  C            > F0 90 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000214431E8520, 16 bytes long.
 Data: < w C            > 90 77 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000214431E7790, 40 bytes long.
 Data: < &#133; C     &#171;&#245;D    > 20 85 1E 43 14 02 00 00 90 AB F5 44 14 02 00 00 
{257} normal block at 0x00000214431E87F0, 16 bytes long.
 Data: <&#208;  C            > D0 90 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000214431E8A20, 16 bytes long.
 Data: <&#168;  C            > A8 90 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000214431DFEA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000214431E8FC0, 16 bytes long.
 Data: <   C            > 80 90 1E 43 14 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000214431E9080, 992 bytes long.
 Data: <&#192;  C    &#160;&#254; C    > C0 8F 1E 43 14 02 00 00 A0 FE 1D 43 14 02 00 00 
{89} normal block at 0x00000214431DF7E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000214431DE9A0, 16 bytes long.
 Data: < &#202; C            > 90 CA 1C 43 14 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000214431CCA90, 40 bytes long.
 Data: <&#160;&#233; C    &#224;&#247; C    > A0 E9 1D 43 14 02 00 00 E0 F7 1D 43 14 02 00 00 
{66} normal block at 0x00000214431DE2C0, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000214431DE810, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000214431DE180, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000214431DDC30, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000214431DE400, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000214431DDC80, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000214431DE1D0, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000214431DE130, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000214431DE0E0, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000214431DE3B0, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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