Task 38664368

Name test_93-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND0744_1
Workunit 31607446
Created 24 Oct 2026, 23:32:03 UTC
Sent 24 Oct 2026, 23:32:12 UTC
Report deadline 29 Oct 2026, 23:32:12 UTC
Received 25 Oct 2026, 4:50:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 5 hours 16 min 10 sec
CPU time 5 hours 6 min 26 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.21 MB
Peak swap size 9.88 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:33:16 (18920): wrapper (7.9.26016): starting
01:33:16 (18920): 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
01:33:17 (18920): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:33:17 (18920): 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
05:48:26 (18920): C:/Windows/system32/cmd.exe exited; CPU time 18386.375000
05:48:26 (18920): 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: 477742493 bytes.
Dumping objects ->
{3835230} normal block at 0x000001E2D1F70740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001E2D1F70DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001E2D1F70270, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x000001E2D1F70900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001E2D1F70F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000001E2D01FBAB0, 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) : {3835142} normal block at 0x000001E2D01D0A60, 8 bytes long.
 Data: <  l&#208;&#226;   > 00 00 6C D0 E2 01 00 00 
{3833989} normal block at 0x000001E2D01D0920, 8 bytes long.
 Data: < x &#210;&#226;   > 90 78 04 D2 E2 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001E2D01C8360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001E2D01C98F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001E2D01D87E0, 16 bytes long.
 Data: <&#232;  &#208;&#226;           > E8 98 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001E2D01D8B00, 16 bytes long.
 Data: <&#192;  &#208;&#226;           > C0 98 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001E2D01D1B50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001E2D01D9500, 16 bytes long.
 Data: <   &#208;&#226;           > 98 98 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001E2D01D8790, 16 bytes long.
 Data: <p  &#208;&#226;           > 70 98 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001E2D01D8600, 16 bytes long.
 Data: <H  &#208;&#226;           > 48 98 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E2D01D9410, 16 bytes long.
 Data: <   &#208;&#226;           > 20 98 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001E2D01D6DA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001E2D01D8E20, 16 bytes long.
 Data: <h  &#208;&#226;           > 68 15 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E2D01D2090, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001E2D01D8740, 16 bytes long.
 Data: <@  &#208;&#226;           > 40 15 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E2D01D89C0, 16 bytes long.
 Data: <   &#208;&#226;           > 18 15 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E2D01D8F60, 16 bytes long.
 Data: <&#240;  &#208;&#226;           > F0 14 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E2D01D8A60, 16 bytes long.
 Data: <&#200;  &#208;&#226;           > C8 14 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E2D01D8BA0, 16 bytes long.
 Data: <&#160;  &#208;&#226;           > A0 14 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E2D01D9550, 16 bytes long.
 Data: <x  &#208;&#226;           > 78 14 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E2D01D1D30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000001E2D01D8CE0, 16 bytes long.
 Data: <P  &#208;&#226;           > 50 14 1C D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E2D01C1450, 320 bytes long.
 Data: <&#224;&#140; &#208;&#226;   0  &#208;&#226;   > E0 8C 1D D0 E2 01 00 00 30 1D 1D D0 E2 01 00 00 
{290} normal block at 0x000001E2D01D94B0, 16 bytes long.
 Data: <   &#208;&#226;           > 00 98 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E2D01D8EC0, 16 bytes long.
 Data: <&#216;&#151; &#208;&#226;           > D8 97 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E2D01D2270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001E2D01D8F10, 16 bytes long.
 Data: <&#176;&#151; &#208;&#226;           > B0 97 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E2D01D1AF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001E2D01D93C0, 16 bytes long.
 Data: <&#248;&#150; &#208;&#226;           > F8 96 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E2D01D8DD0, 16 bytes long.
 Data: <&#208;&#150; &#208;&#226;           > D0 96 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E2D01D86F0, 16 bytes long.
 Data: <&#168;&#150; &#208;&#226;           > A8 96 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E2D01D92D0, 16 bytes long.
 Data: < &#150; &#208;&#226;           > 80 96 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E2D01D9460, 16 bytes long.
 Data: <X&#150; &#208;&#226;           > 58 96 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E2D01D8E70, 16 bytes long.
 Data: <0&#150; &#208;&#226;           > 30 96 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E2D01D9140, 16 bytes long.
 Data: <&#224;k &#208;&#226;           > E0 6B 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E2D01D6BE0, 40 bytes long.
 Data: <@&#145; &#208;&#226;   &#176;&#186; &#208;&#226;   > 40 91 1D D0 E2 01 00 00 B0 BA 1F D0 E2 01 00 00 
{276} normal block at 0x000001E2D01D88D0, 16 bytes long.
 Data: < &#150; &#208;&#226;           > 10 96 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E2D01D8D30, 16 bytes long.
 Data: <&#232;&#149; &#208;&#226;           > E8 95 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E2D01D1D90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001E2D01D8920, 16 bytes long.
 Data: <&#192;&#149; &#208;&#226;           > C0 95 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E2D01D95C0, 992 bytes long.
 Data: < &#137; &#208;&#226;      &#208;&#226;   > 20 89 1D D0 E2 01 00 00 90 1D 1D D0 E2 01 00 00 
{108} normal block at 0x000001E2D01D1610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001E2D01D0A10, 16 bytes long.
 Data: <0m &#208;&#226;           > 30 6D 1D D0 E2 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001E2D01D6D30, 40 bytes long.
 Data: <   &#208;&#226;      &#208;&#226;   > 10 0A 1D D0 E2 01 00 00 10 16 1D D0 E2 01 00 00 
{85} normal block at 0x000001E2D01D1050, 16 bytes long.
 Data: < &#234; q&#246;           > 80 EA 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001E2D01D0E70, 16 bytes long.
 Data: <@&#233; q&#246;           > 40 E9 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001E2D01D1280, 16 bytes long.
 Data: <&#248;W q&#246;           > F8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E2D01D0B00, 16 bytes long.
 Data: <&#216;W q&#246;           > D8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E2D01D1460, 16 bytes long.
 Data: <P  q&#246;           > 50 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001E2D01D11E0, 16 bytes long.
 Data: <0  q&#246;           > 30 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001E2D01D1230, 16 bytes long.
 Data: <&#224;  q&#246;           > E0 02 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001E2D01D12D0, 16 bytes long.
 Data: <   q&#246;           > 10 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E2D01D1500, 16 bytes long.
 Data: <p  q&#246;           > 70 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E2D01D0DD0, 16 bytes long.
 Data: < &#192; q&#246;           > 18 C0 18 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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