Task 38699489

Name test_567-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2937_1
Workunit 31634316
Created 4 Nov 2026, 11:30:37 UTC
Sent 4 Nov 2026, 11:30:42 UTC
Report deadline 9 Nov 2026, 11:30:42 UTC
Received 4 Nov 2026, 12:26:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 54 min 22 sec
CPU time 51 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.96 MB
Peak swap size 3.86 GB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:33:02 (9088): wrapper (7.9.26016): starting
12:33:02 (9088): 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
12:33:05 (9088): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:33:05 (9088): 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\1\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\1\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
13:25:31 (9088): C:/Windows/system32/cmd.exe exited; CPU time 3060.062500
13:25:31 (9088): 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: 36061509 bytes.
Dumping objects ->
{3835420} normal block at 0x0000028D13B97C20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x0000028D13B987F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x0000028D13B981D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x0000028D13B98A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x0000028D1205B3D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x0000028D13B3BA10, 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) : {3835332} normal block at 0x0000028D12056370, 8 bytes long.
 Data: <    &#141;   > 00 00 01 12 8D 02 00 00 
{3833953} normal block at 0x0000028D12056B90, 8 bytes long.
 Data: <&#176;o&#185; &#141;   > B0 6F B9 13 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000028D12061050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028D1204AE50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000028D12062450, 16 bytes long.
 Data: < 6  &#141;           > 88 36 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028D12062180, 16 bytes long.
 Data: <`6  &#141;           > 60 36 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D1205D1C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000028D120627C0, 16 bytes long.
 Data: <86  &#141;           > 38 36 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028D12062130, 16 bytes long.
 Data: < 6  &#141;           > 10 36 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028D120620E0, 16 bytes long.
 Data: <&#232;5  &#141;           > E8 35 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028D12062D60, 16 bytes long.
 Data: <&#192;5  &#141;           > C0 35 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028D1205B050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000028D12062D10, 16 bytes long.
 Data: < &#196;  &#141;           > 88 C4 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028D1205D2E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000028D12062360, 16 bytes long.
 Data: <`&#196;  &#141;           > 60 C4 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028D12062770, 16 bytes long.
 Data: <8&#196;  &#141;           > 38 C4 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028D12062C20, 16 bytes long.
 Data: < &#196;  &#141;           > 10 C4 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028D12062E00, 16 bytes long.
 Data: <&#232;&#195;  &#141;           > E8 C3 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028D12062680, 16 bytes long.
 Data: <&#192;&#195;  &#141;           > C0 C3 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028D12062040, 16 bytes long.
 Data: < &#195;  &#141;           > 98 C3 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028D1205D400, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000028D12062CC0, 16 bytes long.
 Data: <p&#195;  &#141;           > 70 C3 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028D1205C370, 320 bytes long.
 Data: <&#192;,  &#141;    &#212;  &#141;   > C0 2C 06 12 8D 02 00 00 00 D4 05 12 8D 02 00 00 
{272} normal block at 0x0000028D12062DB0, 16 bytes long.
 Data: <&#160;5  &#141;           > A0 35 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028D12062310, 16 bytes long.
 Data: <x5  &#141;           > 78 35 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028D1205CC20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000028D12062A40, 16 bytes long.
 Data: <P5  &#141;           > 50 35 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028D1205C560, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000028D12062BD0, 16 bytes long.
 Data: < 4  &#141;           > 98 34 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028D12061FF0, 16 bytes long.
 Data: <p4  &#141;           > 70 34 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D120622C0, 16 bytes long.
 Data: <H4  &#141;           > 48 34 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028D120624F0, 16 bytes long.
 Data: < 4  &#141;           > 20 34 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028D12062EF0, 16 bytes long.
 Data: <&#248;3  &#141;           > F8 33 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028D12062090, 16 bytes long.
 Data: <&#208;3  &#141;           > D0 33 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028D120623B0, 16 bytes long.
 Data: < &#181;  &#141;           > 20 B5 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028D1205B520, 40 bytes long.
 Data: <&#176;#  &#141;    &#186;&#179; &#141;   > B0 23 06 12 8D 02 00 00 10 BA B3 13 8D 02 00 00 
{258} normal block at 0x0000028D12062270, 16 bytes long.
 Data: <&#176;3  &#141;           > B0 33 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028D12062E50, 16 bytes long.
 Data: < 3  &#141;           > 88 33 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028D1205D040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000028D12062630, 16 bytes long.
 Data: <`3  &#141;           > 60 33 06 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028D12063360, 992 bytes long.
 Data: <0&  &#141;   @&#208;  &#141;   > 30 26 06 12 8D 02 00 00 40 D0 05 12 8D 02 00 00 
{90} normal block at 0x0000028D1205D0A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000028D120563C0, 16 bytes long.
 Data: <P&#183;  &#141;           > 50 B7 05 12 8D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000028D1205B750, 40 bytes long.
 Data: <&#192;c  &#141;   &#160;&#208;  &#141;   > C0 63 05 12 8D 02 00 00 A0 D0 05 12 8D 02 00 00 
{67} normal block at 0x0000028D12056EB0, 16 bytes long.
 Data: < &#234;&#154;B&#246;           > 80 EA 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028D12056320, 16 bytes long.
 Data: <@&#233;&#154;B&#246;           > 40 E9 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028D12056820, 16 bytes long.
 Data: <&#248;W&#151;B&#246;           > F8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028D12057130, 16 bytes long.
 Data: <&#216;W&#151;B&#246;           > D8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028D120567D0, 16 bytes long.
 Data: <P &#151;B&#246;           > 50 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028D120570E0, 16 bytes long.
 Data: <0 &#151;B&#246;           > 30 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028D12056F00, 16 bytes long.
 Data: <&#224; &#151;B&#246;           > E0 02 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028D12056D20, 16 bytes long.
 Data: <  &#151;B&#246;           > 10 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028D12057270, 16 bytes long.
 Data: <p &#151;B&#246;           > 70 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028D12056BE0, 16 bytes long.
 Data: < &#192;&#149;B&#246;           > 18 C0 95 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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