Task 38679056

Name test_482-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9971_0
Workunit 31620852
Created 26 Oct 2026, 19:19:56 UTC
Sent 26 Oct 2026, 19:20:03 UTC
Report deadline 31 Oct 2026, 19:20:03 UTC
Received 27 Oct 2026, 5:59:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654840
Run time 1 hours 57 min 43 sec
CPU time 1 hours 35 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,029.85 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.04 MB
Peak swap size 8.40 GB
Peak disk usage 3.67 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:04:26 (98940): wrapper (7.9.26016): starting
23:04:26 (98940): 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
23:04:28 (98940): Library/usr/bin/tar.exe exited; CPU time 0.031250
23:04:28 (98940): 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
00:58:47 (98940): C:/Windows/system32/cmd.exe exited; CPU time 5746.125000
00:58:47 (98940): 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: 253563153 bytes.
Dumping objects ->
{3835485} normal block at 0x000002118D983ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835474} normal block at 0x000002118D983D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835463} normal block at 0x000002118D983CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835452} normal block at 0x000002118D983D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835441} normal block at 0x000002118D9842C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835410} normal block at 0x000002118FD6DA60, 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) : {3835397} normal block at 0x000002118D979530, 8 bytes long.
 Data: <  &#196;     > 00 00 C4 8D 11 02 00 00 
{3833949} normal block at 0x000002118D979850, 8 bytes long.
 Data: <P&#201;&#154;     > 50 C9 9A 8D 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002118D974F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002118D97EDF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002118D984DF0, 16 bytes long.
 Data: <(W              > 28 57 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002118D984A30, 16 bytes long.
 Data: < W              > 00 57 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002118D97FC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002118D984710, 16 bytes long.
 Data: <&#216;V              > D8 56 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002118D9852F0, 16 bytes long.
 Data: <&#176;V              > B0 56 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002118D984530, 16 bytes long.
 Data: < V              > 88 56 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002118D984C60, 16 bytes long.
 Data: <`V              > 60 56 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002118D984100, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002118D9852A0, 16 bytes long.
 Data: <x&#244;&#150;             > 78 F4 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002118D97FCE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002118D984E40, 16 bytes long.
 Data: <P&#244;&#150;             > 50 F4 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002118D9845D0, 16 bytes long.
 Data: <(&#244;&#150;             > 28 F4 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002118D984F30, 16 bytes long.
 Data: < &#244;&#150;             > 00 F4 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002118D985110, 16 bytes long.
 Data: <&#216;&#243;&#150;             > D8 F3 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002118D985020, 16 bytes long.
 Data: <&#176;&#243;&#150;             > B0 F3 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002118D984F80, 16 bytes long.
 Data: < &#243;&#150;             > 88 F3 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002118D97FA40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002118D9851B0, 16 bytes long.
 Data: <`&#243;&#150;             > 60 F3 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002118D96F360, 320 bytes long.
 Data: <&#176;Q      @&#250;&#151;     > B0 51 98 8D 11 02 00 00 40 FA 97 8D 11 02 00 00 
{270} normal block at 0x000002118D985200, 16 bytes long.
 Data: <@V              > 40 56 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002118D984490, 16 bytes long.
 Data: < V              > 18 56 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002118D980040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002118D984DA0, 16 bytes long.
 Data: <&#240;U              > F0 55 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002118D9804C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002118D984670, 16 bytes long.
 Data: <8U              > 38 55 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002118D985160, 16 bytes long.
 Data: < U              > 10 55 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002118D984CB0, 16 bytes long.
 Data: <&#232;T              > E8 54 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002118D984800, 16 bytes long.
 Data: <&#192;T              > C0 54 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002118D9846C0, 16 bytes long.
 Data: < T              > 98 54 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002118D985390, 16 bytes long.
 Data: <pT              > 70 54 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002118D984580, 16 bytes long.
 Data: < @              > 20 40 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002118D984020, 40 bytes long.
 Data: < E      `&#218;&#214;     > 80 45 98 8D 11 02 00 00 60 DA D6 8F 11 02 00 00 
{256} normal block at 0x000002118D984D50, 16 bytes long.
 Data: <PT              > 50 54 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002118D984620, 16 bytes long.
 Data: <(T              > 28 54 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002118D980400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002118D9847B0, 16 bytes long.
 Data: < T              > 00 54 98 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002118D985400, 992 bytes long.
 Data: <&#176;G              > B0 47 98 8D 11 02 00 00 00 04 98 8D 11 02 00 00 
{88} normal block at 0x000002118D97FB00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002118D979800, 16 bytes long.
 Data: < &#216;&#150;             > 80 D8 96 8D 11 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002118D96D880, 40 bytes long.
 Data: <  &#151;      &#251;&#151;     > 00 98 97 8D 11 02 00 00 00 FB 97 8D 11 02 00 00 
{65} normal block at 0x000002118D9798F0, 16 bytes long.
 Data: < &#234;6S&#247;           > 80 EA 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002118D979710, 16 bytes long.
 Data: <@&#233;6S&#247;           > 40 E9 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002118D979120, 16 bytes long.
 Data: <&#248;W3S&#247;           > F8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002118D979C10, 16 bytes long.
 Data: <&#216;W3S&#247;           > D8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002118D979620, 16 bytes long.
 Data: <P 3S&#247;           > 50 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002118D9793A0, 16 bytes long.
 Data: <0 3S&#247;           > 30 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002118D979A30, 16 bytes long.
 Data: <&#224; 3S&#247;           > E0 02 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002118D979670, 16 bytes long.
 Data: <  3S&#247;           > 10 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002118D979D00, 16 bytes long.
 Data: <p 3S&#247;           > 70 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002118D979260, 16 bytes long.
 Data: < &#192;1S&#247;           > 18 C0 31 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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