Task 38648959

Name test_685-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND8877_0
Workunit 31593637
Created 23 Oct 2026, 20:56:32 UTC
Sent 24 Oct 2026, 3:19:07 UTC
Report deadline 29 Oct 2026, 3:19:07 UTC
Received 24 Oct 2026, 4:35:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 22 min 55 sec
CPU time 17 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.73 MB
Peak swap size 6.89 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:12:51 (48296): wrapper (7.9.26016): starting
07:12:51 (48296): 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
07:12:52 (48296): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:12:52 (48296): 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
07:34:53 (48296): C:/Windows/system32/cmd.exe exited; CPU time 1057.843750
07:34:53 (48296): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 19261905 bytes.
Dumping objects ->
{3835555} normal block at 0x0000023D00C4BA50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000023D00C4B660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000023D00C258C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x0000023D00C25770, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x0000023D00C255B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x0000023D0299A5F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000023D029F56D0, 155 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) : {3835466} normal block at 0x0000023D00C1D8B0, 8 bytes long.
 Data: <    =   > 00 00 12 01 3D 02 00 00 
{3834693} normal block at 0x0000023D029F4FD0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000023D00C1DB30, 8 bytes long.
 Data: <&#160;Y&#162; =   > A0 59 A2 02 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023D00C22810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023D00C17140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000023D00C26340, 16 bytes long.
 Data: <(q&#194; =           > 28 71 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023D00C26B10, 16 bytes long.
 Data: < q&#194; =           > 00 71 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023D00C1FF00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000023D00C25FD0, 16 bytes long.
 Data: <&#216;p&#194; =           > D8 70 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023D00C267A0, 16 bytes long.
 Data: <&#176;p&#194; =           > B0 70 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023D00C262F0, 16 bytes long.
 Data: < p&#194; =           > 88 70 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023D00C26A70, 16 bytes long.
 Data: <`p&#194; =           > 60 70 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023D00C252A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000023D00C26A20, 16 bytes long.
 Data: < &#186;&#192; =           > 08 BA C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023D00C20260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000023D00C26840, 16 bytes long.
 Data: <&#224; &#192; =           > E0 B9 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023D00C267F0, 16 bytes long.
 Data: <&#184; &#192; =           > B8 B9 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023D00C269D0, 16 bytes long.
 Data: <&#144; &#192; =           > 90 B9 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023D00C26430, 16 bytes long.
 Data: <h &#192; =           > 68 B9 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023D00C26750, 16 bytes long.
 Data: <@ &#192; =           > 40 B9 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023D00C26930, 16 bytes long.
 Data: <  &#192; =           > 18 B9 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023D00C20200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000023D00C26610, 16 bytes long.
 Data: <&#240;&#184;&#192; =           > F0 B8 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023D00C0B8F0, 320 bytes long.
 Data: < f&#194; =     &#194; =   > 10 66 C2 00 3D 02 00 00 00 02 C2 00 3D 02 00 00 
{276} normal block at 0x0000023D00C26CF0, 16 bytes long.
 Data: <@p&#194; =           > 40 70 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023D00C26980, 16 bytes long.
 Data: < p&#194; =           > 18 70 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023D00C20380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000023D00C26C50, 16 bytes long.
 Data: <&#240;o&#194; =           > F0 6F C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023D00C20800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000023D00C266B0, 16 bytes long.
 Data: <8o&#194; =           > 38 6F C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023D00C26AC0, 16 bytes long.
 Data: < o&#194; =           > 10 6F C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023D00C25EE0, 16 bytes long.
 Data: <&#232;n&#194; =           > E8 6E C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023D00C26700, 16 bytes long.
 Data: <&#192;n&#194; =           > C0 6E C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023D00C26660, 16 bytes long.
 Data: < n&#194; =           > 98 6E C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023D00C265C0, 16 bytes long.
 Data: <pn&#194; =           > 70 6E C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023D00C268E0, 16 bytes long.
 Data: < V&#194; =           > 20 56 C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023D00C25620, 40 bytes long.
 Data: <&#224;h&#194; =   &#240;&#165;  =   > E0 68 C2 00 3D 02 00 00 F0 A5 99 02 3D 02 00 00 
{262} normal block at 0x0000023D00C25E90, 16 bytes long.
 Data: <Pn&#194; =           > 50 6E C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023D00C26890, 16 bytes long.
 Data: <(n&#194; =           > 28 6E C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023D00C20320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000023D00C26570, 16 bytes long.
 Data: < n&#194; =           > 00 6E C2 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023D00C26E00, 992 bytes long.
 Data: <pe&#194; =     &#194; =   > 70 65 C2 00 3D 02 00 00 20 03 C2 00 3D 02 00 00 
{94} normal block at 0x0000023D00C20740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000023D00C1D950, 16 bytes long.
 Data: < &#243;&#192; =           > 20 F3 C0 00 3D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023D00C0F320, 40 bytes long.
 Data: <P&#217;&#193; =   @ &#194; =   > 50 D9 C1 00 3D 02 00 00 40 07 C2 00 3D 02 00 00 
{71} normal block at 0x0000023D00C1E4E0, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023D00C1D9A0, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023D00C1DE50, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023D00C1DDB0, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023D00C1DD10, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023D00C1E210, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023D00C1D9F0, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023D00C1E120, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023D00C1DC20, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023D00C1E490, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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