Task 38667875

Name test_548-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND2909_0
Workunit 31610455
Created 25 Oct 2026, 9:45:50 UTC
Sent 25 Oct 2026, 9:45:59 UTC
Report deadline 30 Oct 2026, 9:45:59 UTC
Received 26 Oct 2026, 0:21:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 49 min 46 sec
CPU time 44 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.51 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:32:25 (86860): wrapper (7.9.26016): starting
19:32:25 (86860): 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
19:32:27 (86860): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:32:27 (86860): 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\2\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\2\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
20:21:01 (86860): C:/Windows/system32/cmd.exe exited; CPU time 2654.359375
20:21:01 (86860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 70565477 bytes.
Dumping objects ->
{3835220} normal block at 0x0000027CAAB12360, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000027CAAB11FE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000027CAAB12280, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x0000027CAAB11F70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x0000027CAAB120C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x0000027CAC83B000, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835134} normal block at 0x0000027CAC791330, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835131} normal block at 0x0000027CAAB0C480, 8 bytes long.
 Data: <  &#172;&#170;|   > 00 00 AC AA 7C 02 00 00 
{3834534} normal block at 0x0000027CAC790FB0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000027CAAB0BD50, 8 bytes long.
 Data: <` &#142;&#172;|   > 60 06 8E AC 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000027CAAB0E130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027CAAB05450, 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 0x0000027CAAB13540, 16 bytes long.
 Data: < =&#177;&#170;|           > 88 3D B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027CAAB12B90, 16 bytes long.
 Data: <`=&#177;&#170;|           > 60 3D B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027CAAB0D2C0, 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 0x0000027CAAB13180, 16 bytes long.
 Data: <8=&#177;&#170;|           > 38 3D B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027CAAB13810, 16 bytes long.
 Data: < =&#177;&#170;|           > 10 3D B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027CAAB134A0, 16 bytes long.
 Data: <&#232;<&#177;&#170;|           > E8 3C B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027CAAB13360, 16 bytes long.
 Data: <&#192;<&#177;&#170;|           > C0 3C B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027CAAB12050, 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 0x0000027CAAB134F0, 16 bytes long.
 Data: <8&#179;&#175;&#170;|           > 38 B3 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027CAAB0D5C0, 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 0x0000027CAAB133B0, 16 bytes long.
 Data: < &#179;&#175;&#170;|           > 10 B3 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027CAAB12F50, 16 bytes long.
 Data: <&#232;&#178;&#175;&#170;|           > E8 B2 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027CAAB12F00, 16 bytes long.
 Data: <&#192;&#178;&#175;&#170;|           > C0 B2 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027CAAB12D70, 16 bytes long.
 Data: < &#178;&#175;&#170;|           > 98 B2 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027CAAB12FF0, 16 bytes long.
 Data: <p&#178;&#175;&#170;|           > 70 B2 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027CAAB130E0, 16 bytes long.
 Data: <H&#178;&#175;&#170;|           > 48 B2 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027CAAB0D740, 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 0x0000027CAAB137C0, 16 bytes long.
 Data: < &#178;&#175;&#170;|           > 20 B2 AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027CAAAFB220, 320 bytes long.
 Data: <&#192;7&#177;&#170;|   @&#215;&#176;&#170;|   > C0 37 B1 AA 7C 02 00 00 40 D7 B0 AA 7C 02 00 00 
{270} normal block at 0x0000027CAAB12E60, 16 bytes long.
 Data: <&#160;<&#177;&#170;|           > A0 3C B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027CAAB139F0, 16 bytes long.
 Data: <x<&#177;&#170;|           > 78 3C B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027CAAB0CF60, 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 0x0000027CAAB13770, 16 bytes long.
 Data: <P<&#177;&#170;|           > 50 3C B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027CAAB0D6E0, 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 0x0000027CAAB12E10, 16 bytes long.
 Data: < ;&#177;&#170;|           > 98 3B B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027CAAB13720, 16 bytes long.
 Data: <p;&#177;&#170;|           > 70 3B B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027CAAB136D0, 16 bytes long.
 Data: <H;&#177;&#170;|           > 48 3B B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027CAAB13950, 16 bytes long.
 Data: < ;&#177;&#170;|           > 20 3B B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027CAAB12D20, 16 bytes long.
 Data: <&#248;:&#177;&#170;|           > F8 3A B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027CAAB13860, 16 bytes long.
 Data: <&#208;:&#177;&#170;|           > D0 3A B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027CAAB13310, 16 bytes long.
 Data: <&#176;$&#177;&#170;|           > B0 24 B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027CAAB124B0, 40 bytes long.
 Data: < 3&#177;&#170;|    &#176;&#131;&#172;|   > 10 33 B1 AA 7C 02 00 00 00 B0 83 AC 7C 02 00 00 
{256} normal block at 0x0000027CAAB12FA0, 16 bytes long.
 Data: <&#176;:&#177;&#170;|           > B0 3A B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027CAAB13680, 16 bytes long.
 Data: < :&#177;&#170;|           > 88 3A B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027CAAB0D9E0, 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 0x0000027CAAB12BE0, 16 bytes long.
 Data: <`:&#177;&#170;|           > 60 3A B1 AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000027CAAB13A60, 992 bytes long.
 Data: <&#224;+&#177;&#170;|   &#224;&#217;&#176;&#170;|   > E0 2B B1 AA 7C 02 00 00 E0 D9 B0 AA 7C 02 00 00 
{88} normal block at 0x0000027CAAB0D980, 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 0x0000027CAAB0BD00, 16 bytes long.
 Data: <p&#236;&#175;&#170;|           > 70 EC AF AA 7C 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000027CAAAFEC70, 40 bytes long.
 Data: < &#189;&#176;&#170;|    &#217;&#176;&#170;|   > 00 BD B0 AA 7C 02 00 00 80 D9 B0 AA 7C 02 00 00 
{65} normal block at 0x0000027CAAB0BFD0, 16 bytes long.
 Data: < &#234;D&#196;&#247;           > 80 EA 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027CAAB0C520, 16 bytes long.
 Data: <@&#233;D&#196;&#247;           > 40 E9 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027CAAB0C570, 16 bytes long.
 Data: <&#248;WA&#196;&#247;           > F8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027CAAB0C750, 16 bytes long.
 Data: <&#216;WA&#196;&#247;           > D8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027CAAB0BB70, 16 bytes long.
 Data: <P A&#196;&#247;           > 50 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027CAAB0C610, 16 bytes long.
 Data: <0 A&#196;&#247;           > 30 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027CAAB0BDA0, 16 bytes long.
 Data: <&#224; A&#196;&#247;           > E0 02 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027CAAB0C7A0, 16 bytes long.
 Data: <  A&#196;&#247;           > 10 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027CAAB0CA20, 16 bytes long.
 Data: <p A&#196;&#247;           > 70 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027CAAB0BC10, 16 bytes long.
 Data: < &#192;?&#196;&#247;           > 18 C0 3F C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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