Task 38648625

Name test_412-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND2255_0
Workunit 31593322
Created 23 Oct 2026, 20:47:05 UTC
Sent 24 Oct 2026, 2:12:31 UTC
Report deadline 29 Oct 2026, 2:12:31 UTC
Received 24 Oct 2026, 3:03:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 594606
Run time 51 min 7 sec
CPU time 5 hours 37 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,101.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.57 MB
Peak swap size 14.39 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:14:24 (44792): wrapper (7.9.26016): starting
22:14:24 (44792): 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
22:14:28 (44792): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:14:28 (44792): 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 'D:\ProgramData\BOINC\slots\3\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 'D:\ProgramData\BOINC\slots\3\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
23:02:34 (44792): C:/Windows/system32/cmd.exe exited; CPU time 20268.859375
23:02:34 (44792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 55927087 bytes.
Dumping objects ->
{3835255} normal block at 0x0000017178F8DE70, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000017177075260, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000017177075180, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x00000171770757A0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000171770755E0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000017178FD8F30, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x000001717706E8A0, 8 bytes long.
 Data: <   wq   > 00 00 7F 77 71 01 00 00 
{3833953} normal block at 0x000001717706EE40, 8 bytes long.
 Data: < Y yq   > 90 59 06 79 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000017177066E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017177067990, 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 0x0000017177076110, 16 bytes long.
 Data: < o wq           > 98 6F 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000171770764D0, 16 bytes long.
 Data: <po wq           > 70 6F 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000171770711C0, 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 0x0000017177076480, 16 bytes long.
 Data: <Ho wq           > 48 6F 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017177075CB0, 16 bytes long.
 Data: < o wq           > 20 6F 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017177075D00, 16 bytes long.
 Data: <&#248;n wq           > F8 6E 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017177075EE0, 16 bytes long.
 Data: <&#208;n wq           > D0 6E 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017177075340, 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 0x0000017177076430, 16 bytes long.
 Data: <   wq           > 18 00 06 77 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017177070E00, 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 0x0000017177076930, 16 bytes long.
 Data: <&#240;&#255; wq           > F0 FF 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017177076A70, 16 bytes long.
 Data: <&#200;&#255; wq           > C8 FF 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017177076A20, 16 bytes long.
 Data: <&#160;&#255; wq           > A0 FF 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000171770763E0, 16 bytes long.
 Data: <x&#255; wq           > 78 FF 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017177076390, 16 bytes long.
 Data: <P&#255; wq           > 50 FF 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017177076340, 16 bytes long.
 Data: <(&#255; wq           > 28 FF 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017177071100, 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 0x00000171770769D0, 16 bytes long.
 Data: < &#255; wq           > 00 FF 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001717705FF00, 320 bytes long.
 Data: <&#208;i wq      wq   > D0 69 07 77 71 01 00 00 00 11 07 77 71 01 00 00 
{272} normal block at 0x0000017177076200, 16 bytes long.
 Data: <&#176;n wq           > B0 6E 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017177076C00, 16 bytes long.
 Data: < n wq           > 88 6E 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017177070B60, 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 0x00000171770760C0, 16 bytes long.
 Data: <`n wq           > 60 6E 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017177070F80, 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 0x00000171770761B0, 16 bytes long.
 Data: <&#168;m wq           > A8 6D 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017177075E90, 16 bytes long.
 Data: < m wq           > 80 6D 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017177075E40, 16 bytes long.
 Data: <Xm wq           > 58 6D 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000171770762F0, 16 bytes long.
 Data: <0m wq           > 30 6D 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017177076070, 16 bytes long.
 Data: < m wq           > 08 6D 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017177076020, 16 bytes long.
 Data: <&#224;l wq           > E0 6C 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000171770762A0, 16 bytes long.
 Data: <&#160;P wq           > A0 50 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000171770750A0, 40 bytes long.
 Data: <&#160;b wq   0 &#253;xq   > A0 62 07 77 71 01 00 00 30 8F FD 78 71 01 00 00 
{258} normal block at 0x0000017177075DA0, 16 bytes long.
 Data: <&#192;l wq           > C0 6C 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017177075FD0, 16 bytes long.
 Data: < l wq           > 98 6C 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017177070980, 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 0x0000017177076250, 16 bytes long.
 Data: <pl wq           > 70 6C 07 77 71 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017177076C70, 992 bytes long.
 Data: <Pb wq    	 wq   > 50 62 07 77 71 01 00 00 80 09 07 77 71 01 00 00 
{90} normal block at 0x00000171770707A0, 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 0x000001717706EEE0, 16 bytes long.
 Data: <&#176;&#199; wq           > B0 C7 05 77 71 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001717705C7B0, 40 bytes long.
 Data: <&#224;&#238; wq   &#160;  wq   > E0 EE 06 77 71 01 00 00 A0 07 07 77 71 01 00 00 
{67} normal block at 0x000001717706EA80, 16 bytes long.
 Data: < &#234;&#218;m&#247;           > 80 EA DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001717706F390, 16 bytes long.
 Data: <@&#233;&#218;m&#247;           > 40 E9 DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001717706F020, 16 bytes long.
 Data: <&#248;W&#215;m&#247;           > F8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001717706EF30, 16 bytes long.
 Data: <&#216;W&#215;m&#247;           > D8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001717706F200, 16 bytes long.
 Data: <P &#215;m&#247;           > 50 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001717706F520, 16 bytes long.
 Data: <0 &#215;m&#247;           > 30 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001717706E990, 16 bytes long.
 Data: <&#224; &#215;m&#247;           > E0 02 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001717706E670, 16 bytes long.
 Data: <  &#215;m&#247;           > 10 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001717706EDA0, 16 bytes long.
 Data: <p &#215;m&#247;           > 70 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001717706F070, 16 bytes long.
 Data: < &#192;&#213;m&#247;           > 18 C0 D5 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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