Task 38685042

Name test_569-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3902_1
Workunit 31623324
Created 27 Oct 2026, 19:06:37 UTC
Sent 27 Oct 2026, 19:06:41 UTC
Report deadline 1 Nov 2026, 19:06:41 UTC
Received 27 Oct 2026, 19:54:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 46 min 53 sec
CPU time 36 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.71 MB
Peak swap size 2.36 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:08:44 (12920): wrapper (7.9.26016): starting
20:08:44 (12920): 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
20:08:47 (12920): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:08:47 (12920): 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\2\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\2\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
20:53:43 (12920): C:/Windows/system32/cmd.exe exited; CPU time 2172.906250
20:53:43 (12920): 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: 30915815 bytes.
Dumping objects ->
{3835267} normal block at 0x00000178B9514AA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x00000178B9514A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000178B9514720, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x00000178B95146B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000178B95149C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x00000178BB176630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x00000178BB18E810, 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) : {3835178} normal block at 0x00000178B950E410, 8 bytes long.
 Data: <  &#235;&#186;x   > 00 00 EB BA 78 01 00 00 
{3834558} normal block at 0x00000178BB18DF20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x00000178B950E370, 8 bytes long.
 Data: <&#208;J &#187;x   > D0 4A 20 BB 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000178B9510070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000178B95068F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000178B9515E00, 16 bytes long.
 Data: <&#232;aQ&#185;x           > E8 61 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000178B9515810, 16 bytes long.
 Data: <&#192;aQ&#185;x           > C0 61 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000178B950F900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000178B95159A0, 16 bytes long.
 Data: < aQ&#185;x           > 98 61 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000178B9515090, 16 bytes long.
 Data: <paQ&#185;x           > 70 61 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000178B9515DB0, 16 bytes long.
 Data: <HaQ&#185;x           > 48 61 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000178B9515D60, 16 bytes long.
 Data: < aQ&#185;x           > 20 61 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000178B9514870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000178B95154F0, 16 bytes long.
 Data: < &#179;O&#185;x           > 98 B3 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000178B950F840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000178B9514FF0, 16 bytes long.
 Data: <p&#179;O&#185;x           > 70 B3 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000178B9515AE0, 16 bytes long.
 Data: <H&#179;O&#185;x           > 48 B3 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000178B9515450, 16 bytes long.
 Data: < &#179;O&#185;x           > 20 B3 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000178B9515130, 16 bytes long.
 Data: <&#248;&#178;O&#185;x           > F8 B2 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000178B95154A0, 16 bytes long.
 Data: <&#208;&#178;O&#185;x           > D0 B2 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000178B95155E0, 16 bytes long.
 Data: <&#168;&#178;O&#185;x           > A8 B2 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000178B950F540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000178B9515270, 16 bytes long.
 Data: < &#178;O&#185;x           > 80 B2 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000178B94FB280, 320 bytes long.
 Data: <pRQ&#185;x   @&#245;P&#185;x   > 70 52 51 B9 78 01 00 00 40 F5 50 B9 78 01 00 00 
{272} normal block at 0x00000178B9515040, 16 bytes long.
 Data: < aQ&#185;x           > 00 61 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000178B9515310, 16 bytes long.
 Data: <&#216;`Q&#185;x           > D8 60 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000178B950FB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000178B95152C0, 16 bytes long.
 Data: <&#176;`Q&#185;x           > B0 60 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000178B950F6C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000178B9515D10, 16 bytes long.
 Data: <&#248;_Q&#185;x           > F8 5F 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000178B9515400, 16 bytes long.
 Data: <&#208;_Q&#185;x           > D0 5F 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000178B95158B0, 16 bytes long.
 Data: <&#168;_Q&#185;x           > A8 5F 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000178B9514FA0, 16 bytes long.
 Data: < _Q&#185;x           > 80 5F 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000178B95150E0, 16 bytes long.
 Data: <X_Q&#185;x           > 58 5F 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000178B95157C0, 16 bytes long.
 Data: <0_Q&#185;x           > 30 5F 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000178B9514F50, 16 bytes long.
 Data: <`EQ&#185;x           > 60 45 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000178B9514560, 40 bytes long.
 Data: <POQ&#185;x   0f &#187;x   > 50 4F 51 B9 78 01 00 00 30 66 17 BB 78 01 00 00 
{258} normal block at 0x00000178B9515770, 16 bytes long.
 Data: < _Q&#185;x           > 10 5F 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000178B9515720, 16 bytes long.
 Data: <&#232;^Q&#185;x           > E8 5E 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000178B950F1E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000178B9515680, 16 bytes long.
 Data: <&#192;^Q&#185;x           > C0 5E 51 B9 78 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000178B9515EC0, 992 bytes long.
 Data: < VQ&#185;x   &#224;&#241;P&#185;x   > 80 56 51 B9 78 01 00 00 E0 F1 50 B9 78 01 00 00 
{90} normal block at 0x00000178B950F300, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000178B950EAF0, 16 bytes long.
 Data: <&#224;&#196;O&#185;x           > E0 C4 4F B9 78 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000178B94FC4E0, 40 bytes long.
 Data: <&#240;&#234;P&#185;x    &#243;P&#185;x   > F0 EA 50 B9 78 01 00 00 00 F3 50 B9 78 01 00 00 
{67} normal block at 0x00000178B950E780, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 04 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000178B950EB90, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 04 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000178B950EFA0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000178B950E820, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000178B950EEB0, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000178B950ED20, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000178B950EB40, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000178B950E5F0, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000178B950E320, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000178B950E1E0, 16 bytes long.
 Data: < &#192;&#255;&#155;&#247;           > 18 C0 FF 9B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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