Task 38681054

Name test_210-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6959_0
Workunit 31622743
Created 27 Oct 2026, 2:25:53 UTC
Sent 27 Oct 2026, 2:26:03 UTC
Report deadline 1 Nov 2026, 2:26:03 UTC
Received 27 Oct 2026, 3:12:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 7 sec
CPU time 26 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 652.26 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:45:00 (11500): wrapper (7.9.26016): starting
03:45:00 (11500): 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
03:45:01 (11500): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:45:01 (11500): 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:\BOINC\ProgramData\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:\BOINC\ProgramData\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: Exiting with failure status due to previous errors
04:12:05 (11500): C:/Windows/system32/cmd.exe exited; CPU time 1599.531250
04:12:05 (11500): 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: 19754071 bytes.
Dumping objects ->
{3835241} normal block at 0x0000017FB9D913C0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x0000017FB9D90F60, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x0000017FB9D91660, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x0000017FB9D90BE0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x0000017FB9D90EF0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x0000017FB9E844C0, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x0000017FB9DB0650, 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) : {3835152} normal block at 0x0000017FB8298300, 8 bytes long.
 Data: <  &#189;&#185;    > 00 00 BD B9 7F 01 00 00 
{3834548} normal block at 0x0000017FB9DB0F10, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000017FB8298990, 8 bytes long.
 Data: < &#205;&#233;&#185;    > 80 CD E9 B9 7F 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000017FB82A2FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017FB828B900, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000017FB82A4DE0, 16 bytes long.
 Data: <XS*&#184;            > 58 53 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017FB82A48E0, 16 bytes long.
 Data: <0S*&#184;            > 30 53 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017FB829CC30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000017FB82A4FC0, 16 bytes long.
 Data: < S*&#184;            > 08 53 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017FB82A4890, 16 bytes long.
 Data: <&#224;R*&#184;            > E0 52 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017FB82A4D40, 16 bytes long.
 Data: <&#184;R*&#184;            > B8 52 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017FB82A40C0, 16 bytes long.
 Data: < R*&#184;            > 90 52 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017FB829EA50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000017FB82A4840, 16 bytes long.
 Data: < b(&#184;            > 98 62 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017FB829D530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000017FB82A4C00, 16 bytes long.
 Data: <pb(&#184;            > 70 62 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017FB82A4A20, 16 bytes long.
 Data: <Hb(&#184;            > 48 62 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017FB82A4980, 16 bytes long.
 Data: < b(&#184;            > 20 62 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017FB82A4CA0, 16 bytes long.
 Data: <&#248;a(&#184;            > F8 61 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017FB82A4B60, 16 bytes long.
 Data: <&#208;a(&#184;            > D0 61 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017FB82A42F0, 16 bytes long.
 Data: <&#168;a(&#184;            > A8 61 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017FB829C870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000017FB82A41B0, 16 bytes long.
 Data: < a(&#184;            > 80 61 28 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017FB8286180, 320 bytes long.
 Data: <&#176;A*&#184;    p&#200;)&#184;    > B0 41 2A B8 7F 01 00 00 70 C8 29 B8 7F 01 00 00 
{271} normal block at 0x0000017FB82A4660, 16 bytes long.
 Data: <pR*&#184;            > 70 52 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017FB82A4070, 16 bytes long.
 Data: <HR*&#184;            > 48 52 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017FB829CF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000017FB82A49D0, 16 bytes long.
 Data: < R*&#184;            > 20 52 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017FB829C9F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000017FB82A45C0, 16 bytes long.
 Data: <hQ*&#184;            > 68 51 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017FB82A4B10, 16 bytes long.
 Data: <@Q*&#184;            > 40 51 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017FB82A4480, 16 bytes long.
 Data: < Q*&#184;            > 18 51 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017FB82A4200, 16 bytes long.
 Data: <&#240;P*&#184;            > F0 50 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017FB82A4F20, 16 bytes long.
 Data: <&#200;P*&#184;            > C8 50 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017FB82A4570, 16 bytes long.
 Data: <&#160;P*&#184;            > A0 50 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017FB82A47A0, 16 bytes long.
 Data: <&#176;&#238;)&#184;            > B0 EE 29 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017FB829EEB0, 40 bytes long.
 Data: <&#160;G*&#184;    &#192;D&#232;&#185;    > A0 47 2A B8 7F 01 00 00 C0 44 E8 B9 7F 01 00 00 
{257} normal block at 0x0000017FB82A4D90, 16 bytes long.
 Data: < P*&#184;            > 80 50 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017FB82A4610, 16 bytes long.
 Data: <XP*&#184;            > 58 50 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017FB829D4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000017FB82A4520, 16 bytes long.
 Data: <0P*&#184;            > 30 50 2A B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017FB82A5030, 992 bytes long.
 Data: < E*&#184;    &#208;&#212;)&#184;    > 20 45 2A B8 7F 01 00 00 D0 D4 29 B8 7F 01 00 00 
{89} normal block at 0x0000017FB829CF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000017FB8298260, 16 bytes long.
 Data: <&#224;&#233;)&#184;            > E0 E9 29 B8 7F 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000017FB829E9E0, 40 bytes long.
 Data: <`&#130;)&#184;    0&#207;)&#184;    > 60 82 29 B8 7F 01 00 00 30 CF 29 B8 7F 01 00 00 
{66} normal block at 0x0000017FB82988A0, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017FB82987B0, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017FB8298170, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017FB82984E0, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017FB8298940, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017FB8298490, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017FB8298580, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017FB8297D10, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017FB8297EF0, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017FB8298120, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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