Task 38664307

Name test_107-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2083_0
Workunit 31607472
Created 24 Oct 2026, 23:27:59 UTC
Sent 24 Oct 2026, 23:28:03 UTC
Report deadline 29 Oct 2026, 23:28:03 UTC
Received 25 Oct 2026, 9:38:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 7 hours 38 min 19 sec
CPU time 7 hours 5 min 46 sec
Validate state Valid
Credit 600,000.00
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 730.45 MB
Peak swap size 13.21 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:59:47 (123268): wrapper (7.9.26016): starting
21:59:47 (123268): 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
21:59:48 (123268): Library/usr/bin/tar.exe exited; CPU time 0.062500
21:59:48 (123268): 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
05:37:20 (123268): C:/Windows/system32/cmd.exe exited; CPU time 25545.937500
05:37:20 (123268): 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: 668648973 bytes.
Dumping objects ->
{3835220} normal block at 0x000002EADCE82140, 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 0x000002EADCE82530, 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 0x000002EADCE81FF0, 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 0x000002EADCE821B0, 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 0x000002EADCE82290, 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 0x000002EADEBDA860, 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 0x000002EADEB3B0E0, 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 0x000002EADCE7CA20, 8 bytes long.
 Data: <  &#212;&#222;&#234;   > 00 00 D4 DE EA 02 00 00 
{3834534} normal block at 0x000002EADEB3BC40, 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 0x000002EADCE7BDA0, 8 bytes long.
 Data: <@y&#199;&#222;&#234;   > 40 79 C7 DE EA 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002EADCE7E9A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002EADCE75420, 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 0x000002EADCE839F0, 16 bytes long.
 Data: <x>&#232;&#220;&#234;           > 78 3E E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002EADCE82B90, 16 bytes long.
 Data: <P>&#232;&#220;&#234;           > 50 3E E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002EADCE7D110, 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 0x000002EADCE83720, 16 bytes long.
 Data: <(>&#232;&#220;&#234;           > 28 3E E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002EADCE83090, 16 bytes long.
 Data: < >&#232;&#220;&#234;           > 00 3E E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002EADCE836D0, 16 bytes long.
 Data: <&#216;=&#232;&#220;&#234;           > D8 3D E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EADCE82FF0, 16 bytes long.
 Data: <&#176;=&#232;&#220;&#234;           > B0 3D E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002EADCE82370, 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 0x000002EADCE833B0, 16 bytes long.
 Data: <8&#179;&#230;&#220;&#234;           > 38 B3 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EADCE7D770, 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 0x000002EADCE83040, 16 bytes long.
 Data: < &#179;&#230;&#220;&#234;           > 10 B3 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002EADCE83400, 16 bytes long.
 Data: <&#232;&#178;&#230;&#220;&#234;           > E8 B2 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002EADCE82E10, 16 bytes long.
 Data: <&#192;&#178;&#230;&#220;&#234;           > C0 B2 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002EADCE82DC0, 16 bytes long.
 Data: < &#178;&#230;&#220;&#234;           > 98 B2 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002EADCE832C0, 16 bytes long.
 Data: <p&#178;&#230;&#220;&#234;           > 70 B2 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002EADCE839A0, 16 bytes long.
 Data: <H&#178;&#230;&#220;&#234;           > 48 B2 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002EADCE7CDB0, 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 0x000002EADCE83860, 16 bytes long.
 Data: < &#178;&#230;&#220;&#234;           > 20 B2 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002EADCE6B220, 320 bytes long.
 Data: <`8&#232;&#220;&#234;   &#176;&#205;&#231;&#220;&#234;   > 60 38 E8 DC EA 02 00 00 B0 CD E7 DC EA 02 00 00 
{270} normal block at 0x000002EADCE83680, 16 bytes long.
 Data: < =&#232;&#220;&#234;           > 90 3D E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002EADCE83450, 16 bytes long.
 Data: <h=&#232;&#220;&#234;           > 68 3D E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EADCE7D4D0, 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 0x000002EADCE82FA0, 16 bytes long.
 Data: <@=&#232;&#220;&#234;           > 40 3D E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002EADCE7D590, 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 0x000002EADCE831D0, 16 bytes long.
 Data: < <&#232;&#220;&#234;           > 88 3C E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002EADCE82F50, 16 bytes long.
 Data: <`<&#232;&#220;&#234;           > 60 3C E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002EADCE83A40, 16 bytes long.
 Data: <8<&#232;&#220;&#234;           > 38 3C E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002EADCE834A0, 16 bytes long.
 Data: < <&#232;&#220;&#234;           > 10 3C E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002EADCE83810, 16 bytes long.
 Data: <&#232;;&#232;&#220;&#234;           > E8 3B E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002EADCE830E0, 16 bytes long.
 Data: <&#192;;&#232;&#220;&#234;           > C0 3B E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002EADCE83630, 16 bytes long.
 Data: <&#160;%&#232;&#220;&#234;           > A0 25 E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002EADCE825A0, 40 bytes long.
 Data: <06&#232;&#220;&#234;   `&#168;&#189;&#222;&#234;   > 30 36 E8 DC EA 02 00 00 60 A8 BD DE EA 02 00 00 
{256} normal block at 0x000002EADCE82D20, 16 bytes long.
 Data: <&#160;;&#232;&#220;&#234;           > A0 3B E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002EADCE83950, 16 bytes long.
 Data: <x;&#232;&#220;&#234;           > 78 3B E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002EADCE7D230, 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 0x000002EADCE82CD0, 16 bytes long.
 Data: <P;&#232;&#220;&#234;           > 50 3B E8 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002EADCE83B50, 992 bytes long.
 Data: <&#208;,&#232;&#220;&#234;   0&#210;&#231;&#220;&#234;   > D0 2C E8 DC EA 02 00 00 30 D2 E7 DC EA 02 00 00 
{88} normal block at 0x000002EADCE7D170, 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 0x000002EADCE7C1B0, 16 bytes long.
 Data: <&#160;&#196;&#230;&#220;&#234;           > A0 C4 E6 DC EA 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002EADCE6C4A0, 40 bytes long.
 Data: <&#176;&#193;&#231;&#220;&#234;   p&#209;&#231;&#220;&#234;   > B0 C1 E7 DC EA 02 00 00 70 D1 E7 DC EA 02 00 00 
{65} normal block at 0x000002EADCE7C700, 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 0x000002EADCE7C250, 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 0x000002EADCE7C7F0, 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 0x000002EADCE7BE40, 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 0x000002EADCE7C750, 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 0x000002EADCE7BF30, 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 0x000002EADCE7BEE0, 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 0x000002EADCE7BBC0, 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 0x000002EADCE7C6B0, 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 0x000002EADCE7C660, 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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