Task 38683062

Name test_904-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2920_0
Workunit 31624643
Created 27 Oct 2026, 10:16:42 UTC
Sent 27 Oct 2026, 10:16:44 UTC
Report deadline 1 Nov 2026, 10:16:44 UTC
Received 27 Oct 2026, 10:47:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 29 min 20 sec
CPU time 27 min 45 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 719.55 MB
Peak swap size 9.80 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:18:27 (53420): wrapper (7.9.26016): starting
11:18:27 (53420): 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
11:18:31 (53420): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:18:31 (53420): 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
11:46:40 (53420): C:/Windows/system32/cmd.exe exited; CPU time 1665.093750
11:46:40 (53420): 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: 37586529 bytes.
Dumping objects ->
{3835278} normal block at 0x0000020FFB0A8EB0, 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 0x0000020FFB0A9000, 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 0x0000020FF92955E0, 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 0x0000020FF9295110, 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 0x0000020FF9295570, 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 0x0000020FFB057720, 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 0x0000020FF928B1D0, 8 bytes long.
 Data: <   &#249;    > 00 00 8D F9 0F 02 00 00 
{3833975} normal block at 0x0000020FF928AF00, 8 bytes long.
 Data: <&#176;O &#251;    > B0 4F 0B FB 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000020FF92920F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020FF9286DF0, 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 0x0000020FF9295FD0, 16 bytes long.
 Data: < o)&#249;            > 98 6F 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000020FF9296C00, 16 bytes long.
 Data: <po)&#249;            > 70 6F 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020FF928EE40, 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 0x0000020FF92963E0, 16 bytes long.
 Data: <Ho)&#249;            > 48 6F 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020FF9295E90, 16 bytes long.
 Data: < o)&#249;            > 20 6F 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020FF9296390, 16 bytes long.
 Data: <&#248;n)&#249;            > F8 6E 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020FF9295DF0, 16 bytes long.
 Data: <&#208;n)&#249;            > D0 6E 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020FF92952D0, 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 0x0000020FF9296660, 16 bytes long.
 Data: <&#216;&#150;(&#249;            > D8 96 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020FF928F440, 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 0x0000020FF92969D0, 16 bytes long.
 Data: <&#176;&#150;(&#249;            > B0 96 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020FF9296BB0, 16 bytes long.
 Data: < &#150;(&#249;            > 88 96 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020FF9296B10, 16 bytes long.
 Data: <`&#150;(&#249;            > 60 96 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020FF9296520, 16 bytes long.
 Data: <8&#150;(&#249;            > 38 96 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020FF9295F80, 16 bytes long.
 Data: < &#150;(&#249;            > 10 96 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020FF9296750, 16 bytes long.
 Data: <&#232;&#149;(&#249;            > E8 95 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020FF928F680, 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 0x0000020FF92961B0, 16 bytes long.
 Data: <&#192;&#149;(&#249;            > C0 95 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020FF92895C0, 320 bytes long.
 Data: <&#176;a)&#249;     &#246;(&#249;    > B0 61 29 F9 0F 02 00 00 80 F6 28 F9 0F 02 00 00 
{283} normal block at 0x0000020FF9296700, 16 bytes long.
 Data: <&#176;n)&#249;            > B0 6E 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020FF92967F0, 16 bytes long.
 Data: < n)&#249;            > 88 6E 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020FF928F3E0, 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 0x0000020FF9295DA0, 16 bytes long.
 Data: <`n)&#249;            > 60 6E 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020FF928EDE0, 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 0x0000020FF9295F30, 16 bytes long.
 Data: <&#168;m)&#249;            > A8 6D 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020FF9295EE0, 16 bytes long.
 Data: < m)&#249;            > 80 6D 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020FF92960C0, 16 bytes long.
 Data: <Xm)&#249;            > 58 6D 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020FF9296570, 16 bytes long.
 Data: <0m)&#249;            > 30 6D 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020FF92964D0, 16 bytes long.
 Data: < m)&#249;            > 08 6D 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020FF9295E40, 16 bytes long.
 Data: <&#224;l)&#249;            > E0 6C 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020FF92966B0, 16 bytes long.
 Data: < Q)&#249;            > 80 51 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020FF9295180, 40 bytes long.
 Data: <&#176;f)&#249;     w &#251;    > B0 66 29 F9 0F 02 00 00 20 77 05 FB 0F 02 00 00 
{269} normal block at 0x0000020FF9295D00, 16 bytes long.
 Data: <&#192;l)&#249;            > C0 6C 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020FF9296840, 16 bytes long.
 Data: < l)&#249;            > 98 6C 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020FF928EA80, 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 0x0000020FF9296980, 16 bytes long.
 Data: <pl)&#249;            > 70 6C 29 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020FF9296C70, 992 bytes long.
 Data: < i)&#249;     &#234;(&#249;    > 80 69 29 F9 0F 02 00 00 80 EA 28 F9 0F 02 00 00 
{101} normal block at 0x0000020FF928EEA0, 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 0x0000020FF928B6D0, 16 bytes long.
 Data: <  (&#249;            > 20 04 28 F9 0F 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000020FF9280420, 40 bytes long.
 Data: <&#208;&#182;(&#249;    &#160;&#238;(&#249;    > D0 B6 28 F9 0F 02 00 00 A0 EE 28 F9 0F 02 00 00 
{78} normal block at 0x0000020FF928AFA0, 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 0x0000020FF928B770, 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 0x0000020FF928AA00, 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 0x0000020FF928AAA0, 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 0x0000020FF928B5E0, 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 0x0000020FF928B310, 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 0x0000020FF928AC80, 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 0x0000020FF928B720, 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 0x0000020FF928B220, 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 0x0000020FF928B680, 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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