Task 38682809

Name test_584-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7613_0
Workunit 31624402
Created 27 Oct 2026, 9:13:33 UTC
Sent 27 Oct 2026, 9:13:35 UTC
Report deadline 1 Nov 2026, 9:13:35 UTC
Received 27 Oct 2026, 9:45:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 29 min 46 sec
CPU time 27 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.61 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:15:54 (68156): wrapper (7.9.26016): starting
10:15:54 (68156): 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
10:15:56 (68156): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:15:56 (68156): 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\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 'D:\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
10:44:10 (68156): C:/Windows/system32/cmd.exe exited; CPU time 1660.218750
10:44:10 (68156): 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: 37914351 bytes.
Dumping objects ->
{3835278} normal block at 0x0000026E215B5090, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000026E215B4290, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000026E1F8950A0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x0000026E1F8956C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000026E1F895650, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x0000026E2152C0F0, 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) : {3835190} normal block at 0x0000026E1F88B3D0, 8 bytes long.
 Data: <  B!n   > 00 00 42 21 6E 02 00 00 
{3833975} normal block at 0x0000026E1F88AFC0, 8 bytes long.
 Data: <&#160;&#234;A!n   > A0 EA 41 21 6E 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000026E1F891C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000026E1F886600, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000026E1F896B90, 16 bytes long.
 Data: <(o&#137; n           > 28 6F 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000026E1F895EC0, 16 bytes long.
 Data: < o&#137; n           > 00 6F 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026E1F88EFD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000026E1F896B40, 16 bytes long.
 Data: <&#216;n&#137; n           > D8 6E 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026E1F895CE0, 16 bytes long.
 Data: <&#176;n&#137; n           > B0 6E 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026E1F896910, 16 bytes long.
 Data: < n&#137; n           > 88 6E 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026E1F8963C0, 16 bytes long.
 Data: <`n&#137; n           > 60 6E 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026E1F895180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000026E1F8968C0, 16 bytes long.
 Data: <H&#151;  n           > 48 97 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026E1F88F750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000026E1F896190, 16 bytes long.
 Data: < &#151;  n           > 20 97 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026E1F896870, 16 bytes long.
 Data: <&#248;&#150;  n           > F8 96 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026E1F896780, 16 bytes long.
 Data: <&#208;&#150;  n           > D0 96 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026E1F8960F0, 16 bytes long.
 Data: <&#168;&#150;  n           > A8 96 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026E1F896AF0, 16 bytes long.
 Data: < &#150;  n           > 80 96 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026E1F895C90, 16 bytes long.
 Data: <X&#150;  n           > 58 96 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026E1F88EA90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000026E1F896640, 16 bytes long.
 Data: <0&#150;  n           > 30 96 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026E1F889630, 320 bytes long.
 Data: <@f&#137; n    &#234;  n   > 40 66 89 1F 6E 02 00 00 90 EA 88 1F 6E 02 00 00 
{283} normal block at 0x0000026E1F896960, 16 bytes long.
 Data: <@n&#137; n           > 40 6E 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026E1F896AA0, 16 bytes long.
 Data: < n&#137; n           > 18 6E 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026E1F88EF70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000026E1F895E70, 16 bytes long.
 Data: <&#240;m&#137; n           > F0 6D 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026E1F88EF10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000026E1F896320, 16 bytes long.
 Data: <8m&#137; n           > 38 6D 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026E1F896140, 16 bytes long.
 Data: < m&#137; n           > 10 6D 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026E1F8960A0, 16 bytes long.
 Data: <&#232;l&#137; n           > E8 6C 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026E1F895F10, 16 bytes long.
 Data: <&#192;l&#137; n           > C0 6C 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026E1F896460, 16 bytes long.
 Data: < l&#137; n           > 98 6C 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026E1F8965A0, 16 bytes long.
 Data: <pl&#137; n           > 70 6C 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026E1F896A50, 16 bytes long.
 Data: <`R&#137; n           > 60 52 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026E1F895260, 40 bytes long.
 Data: <Pj&#137; n   &#240;&#192;R!n   > 50 6A 89 1F 6E 02 00 00 F0 C0 52 21 6E 02 00 00 
{269} normal block at 0x0000026E1F896280, 16 bytes long.
 Data: <Pl&#137; n           > 50 6C 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026E1F895DD0, 16 bytes long.
 Data: <(l&#137; n           > 28 6C 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026E1F88E970, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000026E1F896820, 16 bytes long.
 Data: < l&#137; n           > 00 6C 89 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026E1F896C00, 992 bytes long.
 Data: < h&#137; n   p&#233;  n   > 20 68 89 1F 6E 02 00 00 70 E9 88 1F 6E 02 00 00 
{101} normal block at 0x0000026E1F88EEB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x0000026E1F88A980, 16 bytes long.
 Data: <    n           > 00 05 88 1F 6E 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000026E1F880500, 40 bytes long.
 Data: < &#169;  n   &#176;&#238;  n   > 80 A9 88 1F 6E 02 00 00 B0 EE 88 1F 6E 02 00 00 
{78} normal block at 0x0000026E1F88B6A0, 16 bytes long.
 Data: < &#234;&#233;Z&#247;           > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000026E1F88B560, 16 bytes long.
 Data: <@&#233;&#233;Z&#247;           > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000026E1F88ABB0, 16 bytes long.
 Data: <&#248;W&#230;Z&#247;           > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000026E1F88B420, 16 bytes long.
 Data: <&#216;W&#230;Z&#247;           > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000026E1F88AAC0, 16 bytes long.
 Data: <P &#230;Z&#247;           > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026E1F88ACA0, 16 bytes long.
 Data: <0 &#230;Z&#247;           > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026E1F88B5B0, 16 bytes long.
 Data: <&#224; &#230;Z&#247;           > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026E1F88A8E0, 16 bytes long.
 Data: <  &#230;Z&#247;           > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026E1F88B510, 16 bytes long.
 Data: <p &#230;Z&#247;           > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026E1F88AF70, 16 bytes long.
 Data: < &#192;&#228;Z&#247;           > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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