Task 38680151

Name test_287-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9350_0
Workunit 31621889
Created 26 Oct 2026, 22:57:51 UTC
Sent 26 Oct 2026, 22:57:53 UTC
Report deadline 31 Oct 2026, 22:57:53 UTC
Received 27 Oct 2026, 0:17:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 38 min 18 sec
CPU time 35 min
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 709.26 MB
Peak swap size 8.41 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:39:01 (5732): wrapper (7.9.26016): starting
19:39:01 (5732): 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
19:39:05 (5732): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:39:05 (5732): 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\16\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\16\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
20:15:27 (5732): C:/Windows/system32/cmd.exe exited; CPU time 2100.796875
20:15:27 (5732): 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: 39257767 bytes.
Dumping objects ->
{3835262} normal block at 0x000001C093FBDDD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001C093FBD660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001C093FBE540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000001C092225460, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001C092225A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000001C09400A0C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x000001C09221F870, 8 bytes long.
 Data: <   &#146;&#192;   > 00 00 1F 92 C0 01 00 00 
{3833959} normal block at 0x000001C09221F140, 8 bytes long.
 Data: <&#192;L"&#146;&#192;   > C0 4C 22 92 C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C092221910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C0922168C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C092227560, 16 bytes long.
 Data: <&#200;d"&#146;&#192;           > C8 64 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C092227330, 16 bytes long.
 Data: <&#160;d"&#146;&#192;           > A0 64 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C092220760, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C092227060, 16 bytes long.
 Data: <xd"&#146;&#192;           > 78 64 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C092226660, 16 bytes long.
 Data: <Pd"&#146;&#192;           > 50 64 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C092226B10, 16 bytes long.
 Data: <(d"&#146;&#192;           > 28 64 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C092226FC0, 16 bytes long.
 Data: < d"&#146;&#192;           > 00 64 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C092225620, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C092226C50, 16 bytes long.
 Data: <&#200;\"&#146;&#192;           > C8 5C 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C0922200A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C092226890, 16 bytes long.
 Data: <&#160;\"&#146;&#192;           > A0 5C 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C0922270B0, 16 bytes long.
 Data: <x\"&#146;&#192;           > 78 5C 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C092226750, 16 bytes long.
 Data: <P\"&#146;&#192;           > 50 5C 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C092227150, 16 bytes long.
 Data: <(\"&#146;&#192;           > 28 5C 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C0922272E0, 16 bytes long.
 Data: < \"&#146;&#192;           > 00 5C 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C092226610, 16 bytes long.
 Data: <&#216;["&#146;&#192;           > D8 5B 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C092220340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C092226A70, 16 bytes long.
 Data: <&#176;["&#146;&#192;           > B0 5B 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C092225BB0, 320 bytes long.
 Data: <pj"&#146;&#192;   @ "&#146;&#192;   > 70 6A 22 92 C0 01 00 00 40 03 22 92 C0 01 00 00 
{275} normal block at 0x000001C092226E80, 16 bytes long.
 Data: <&#224;c"&#146;&#192;           > E0 63 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C092226A20, 16 bytes long.
 Data: <&#184;c"&#146;&#192;           > B8 63 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C092220D60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C092227380, 16 bytes long.
 Data: < c"&#146;&#192;           > 90 63 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C092220040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C092227290, 16 bytes long.
 Data: <&#216;b"&#146;&#192;           > D8 62 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C092227100, 16 bytes long.
 Data: <&#176;b"&#146;&#192;           > B0 62 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C092227010, 16 bytes long.
 Data: < b"&#146;&#192;           > 88 62 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C092226F20, 16 bytes long.
 Data: <`b"&#146;&#192;           > 60 62 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C0922267F0, 16 bytes long.
 Data: <8b"&#146;&#192;           > 38 62 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C09221EF60, 16 bytes long.
 Data: < b"&#146;&#192;           > 10 62 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C09221FD70, 16 bytes long.
 Data: <&#240;S"&#146;&#192;           > F0 53 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C0922253F0, 40 bytes long.
 Data: <p&#253;!&#146;&#192;   &#192;&#160; &#148;&#192;   > 70 FD 21 92 C0 01 00 00 C0 A0 00 94 C0 01 00 00 
{261} normal block at 0x000001C09221FCD0, 16 bytes long.
 Data: <&#240;a"&#146;&#192;           > F0 61 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C09221FC80, 16 bytes long.
 Data: <&#200;a"&#146;&#192;           > C8 61 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C09221FFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C09221F8C0, 16 bytes long.
 Data: <&#160;a"&#146;&#192;           > A0 61 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C0922261A0, 992 bytes long.
 Data: <&#192;&#248;!&#146;&#192;   &#224;&#255;!&#146;&#192;   > C0 F8 21 92 C0 01 00 00 E0 FF 21 92 C0 01 00 00 
{93} normal block at 0x000001C092220A60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C09221F7D0, 16 bytes long.
 Data: <&#208;T"&#146;&#192;           > D0 54 22 92 C0 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C0922254D0, 40 bytes long.
 Data: <&#208;&#247;!&#146;&#192;   ` "&#146;&#192;   > D0 F7 21 92 C0 01 00 00 60 0A 22 92 C0 01 00 00 
{70} normal block at 0x000001C09221FDC0, 16 bytes long.
 Data: < &#234; I&#246;           > 80 EA 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C09221F6E0, 16 bytes long.
 Data: <@&#233; I&#246;           > 40 E9 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C09221FB90, 16 bytes long.
 Data: <&#248;W|I&#246;           > F8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C09221F5A0, 16 bytes long.
 Data: <&#216;W|I&#246;           > D8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C09221F0A0, 16 bytes long.
 Data: <P |I&#246;           > 50 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C09221F2D0, 16 bytes long.
 Data: <0 |I&#246;           > 30 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C09221FAA0, 16 bytes long.
 Data: <&#224; |I&#246;           > E0 02 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C09221F690, 16 bytes long.
 Data: <  |I&#246;           > 10 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C09221F3C0, 16 bytes long.
 Data: <p |I&#246;           > 70 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C09221F820, 16 bytes long.
 Data: < &#192;zI&#246;           > 18 C0 7A 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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