Task 38679071

Name test_635-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6699_0
Workunit 31620867
Created 26 Oct 2026, 19:22:47 UTC
Sent 26 Oct 2026, 19:22:58 UTC
Report deadline 31 Oct 2026, 19:22:58 UTC
Received 26 Oct 2026, 20:14:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 48 sec
CPU time 46 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.82 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:25:28 (31968): wrapper (7.9.26016): starting
20:25:28 (31968): 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
20:25:29 (31968): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:25:29 (31968): 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\22\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\22\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
21:12:24 (31968): C:/Windows/system32/cmd.exe exited; CPU time 2808.812500
21:12:24 (31968): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 48186431 bytes.
Dumping objects ->
{3835363} normal block at 0x000002698E48CEB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000002698E48CDD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000002698C734D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000002698C734910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000002698C734D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x000002698E4D7F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000002698E528750, 102 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) : {3835274} normal block at 0x000002698C72EA20, 8 bytes long.
 Data: <  &#205;&#140;i   > 00 00 CD 8C 69 02 00 00 
{3834606} normal block at 0x000002698E5288B0, 102 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 0x000002698C72F3D0, 8 bytes long.
 Data: <PJV&#142;i   > 50 4A 56 8E 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002698C731670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002698C726170, 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 0x000002698C735610, 16 bytes long.
 Data: < hs&#140;i           > 08 68 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002698C735570, 16 bytes long.
 Data: <&#224;gs&#140;i           > E0 67 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002698C730160, 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 0x000002698C736010, 16 bytes long.
 Data: <&#184;gs&#140;i           > B8 67 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002698C735DE0, 16 bytes long.
 Data: < gs&#140;i           > 90 67 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002698C7358E0, 16 bytes long.
 Data: <hgs&#140;i           > 68 67 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002698C735700, 16 bytes long.
 Data: <@gs&#140;i           > 40 67 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002698C734E50, 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 0x000002698C735840, 16 bytes long.
 Data: <H&#231;r&#140;i           > 48 E7 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002698C7307C0, 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 0x000002698C736470, 16 bytes long.
 Data: < &#231;r&#140;i           > 20 E7 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002698C7363D0, 16 bytes long.
 Data: <&#248;&#230;r&#140;i           > F8 E6 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002698C7359D0, 16 bytes long.
 Data: <&#208;&#230;r&#140;i           > D0 E6 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002698C735B60, 16 bytes long.
 Data: <&#168;&#230;r&#140;i           > A8 E6 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002698C736380, 16 bytes long.
 Data: < &#230;r&#140;i           > 80 E6 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002698C736330, 16 bytes long.
 Data: <X&#230;r&#140;i           > 58 E6 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002698C72FF80, 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 0x000002698C735980, 16 bytes long.
 Data: <0&#230;r&#140;i           > 30 E6 72 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002698C72E630, 320 bytes long.
 Data: < Ys&#140;i    &#255;r&#140;i   > 80 59 73 8C 69 02 00 00 80 FF 72 8C 69 02 00 00 
{278} normal block at 0x000002698C7360B0, 16 bytes long.
 Data: < gs&#140;i           > 20 67 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002698C7362E0, 16 bytes long.
 Data: <&#248;fs&#140;i           > F8 66 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002698C72FD40, 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 0x000002698C7355C0, 16 bytes long.
 Data: <&#208;fs&#140;i           > D0 66 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002698C72FE60, 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 0x000002698C7356B0, 16 bytes long.
 Data: < fs&#140;i           > 18 66 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002698C735ED0, 16 bytes long.
 Data: <&#240;es&#140;i           > F0 65 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002698C736290, 16 bytes long.
 Data: <&#200;es&#140;i           > C8 65 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002698C7361A0, 16 bytes long.
 Data: <&#160;es&#140;i           > A0 65 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002698C735C50, 16 bytes long.
 Data: <xes&#140;i           > 78 65 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002698C736060, 16 bytes long.
 Data: <Pes&#140;i           > 50 65 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002698C736150, 16 bytes long.
 Data: <&#176;Ks&#140;i           > B0 4B 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002698C734BB0, 40 bytes long.
 Data: <Pas&#140;i     M&#142;i   > 50 61 73 8C 69 02 00 00 80 7F 4D 8E 69 02 00 00 
{264} normal block at 0x000002698C736240, 16 bytes long.
 Data: <0es&#140;i           > 30 65 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002698C7357F0, 16 bytes long.
 Data: < es&#140;i           > 08 65 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002698C7304C0, 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 0x000002698C735660, 16 bytes long.
 Data: <&#224;ds&#140;i           > E0 64 73 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002698C7364E0, 992 bytes long.
 Data: <`Vs&#140;i   &#192; s&#140;i   > 60 56 73 8C 69 02 00 00 C0 04 73 8C 69 02 00 00 
{96} normal block at 0x000002698C72FC80, 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 0x000002698C72F2E0, 16 bytes long.
 Data: < &#248;q&#140;i           > 90 F8 71 8C 69 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002698C71F890, 40 bytes long.
 Data: <&#224;&#242;r&#140;i    &#252;r&#140;i   > E0 F2 72 8C 69 02 00 00 80 FC 72 8C 69 02 00 00 
{73} normal block at 0x000002698C72EF20, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002698C72F010, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002698C72F8D0, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002698C72F380, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002698C72F6A0, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002698C72F100, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002698C72F0B0, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002698C72F880, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002698C72F470, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002698C72F1A0, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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