Task 38652633

Name test_797-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND3095_1
Workunit 31596665
Created 24 Oct 2026, 4:15:52 UTC
Sent 24 Oct 2026, 4:24:00 UTC
Report deadline 29 Oct 2026, 4:24:00 UTC
Received 24 Oct 2026, 7:50:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 52 min 2 sec
CPU time 42 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 628.32 MB
Peak swap size 9.73 GB
Peak disk usage 4.17 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:45:06 (3180): wrapper (7.9.26016): starting
09:45:06 (3180): 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
09:45:09 (3180): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:45:09 (3180): 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\5\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\5\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
10:34:59 (3180): C:/Windows/system32/cmd.exe exited; CPU time 2573.468750
10:34:59 (3180): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 37608269 bytes.
Dumping objects ->
{3835240} normal block at 0x00000216895EAB50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000216895EB250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000216895EB330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000216895EA680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002168794C300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000021689634820, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000021689691B10, 180 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) : {3835151} normal block at 0x00000216879478D0, 8 bytes long.
 Data: <  &#146;&#135;    > 00 00 92 87 16 02 00 00 
{3834544} normal block at 0x0000021689691CF0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000021687947A10, 8 bytes long.
 Data: < (i&#137;    > 20 28 69 89 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000021687950CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002168793D910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000021687951CB0, 16 bytes long.
 Data: <xC&#149;&#135;            > 78 43 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021687952750, 16 bytes long.
 Data: <PC&#149;&#135;            > 50 43 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002168794D170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000021687952200, 16 bytes long.
 Data: <(C&#149;&#135;            > 28 43 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021687951C60, 16 bytes long.
 Data: < C&#149;&#135;            > 00 43 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000216879526B0, 16 bytes long.
 Data: <&#216;B&#149;&#135;            > D8 42 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021687952570, 16 bytes long.
 Data: <&#176;B&#149;&#135;            > B0 42 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002168794BD50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000021687952A20, 16 bytes long.
 Data: <&#200;Z&#147;&#135;            > C8 5A 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002168794D650, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000021687952660, 16 bytes long.
 Data: <&#160;Z&#147;&#135;            > A0 5A 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021687952890, 16 bytes long.
 Data: <xZ&#147;&#135;            > 78 5A 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021687952430, 16 bytes long.
 Data: <PZ&#147;&#135;            > 50 5A 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000216879523E0, 16 bytes long.
 Data: <(Z&#147;&#135;            > 28 5A 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000216879527F0, 16 bytes long.
 Data: < Z&#147;&#135;            > 00 5A 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021687952070, 16 bytes long.
 Data: <&#216;Y&#147;&#135;            > D8 59 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002168794DA10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000021687952610, 16 bytes long.
 Data: <&#176;Y&#147;&#135;            > B0 59 93 87 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000216879359B0, 320 bytes long.
 Data: < &&#149;&#135;     &#218;&#148;&#135;    > 10 26 95 87 16 02 00 00 10 DA 94 87 16 02 00 00 
{266} normal block at 0x0000021687952980, 16 bytes long.
 Data: <&#144;B&#149;&#135;            > 90 42 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021687952390, 16 bytes long.
 Data: <hB&#149;&#135;            > 68 42 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002168794D0B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000021687952700, 16 bytes long.
 Data: <@B&#149;&#135;            > 40 42 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002168794DCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000021687951EE0, 16 bytes long.
 Data: < A&#149;&#135;            > 88 41 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021687952020, 16 bytes long.
 Data: <`A&#149;&#135;            > 60 41 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000216879521B0, 16 bytes long.
 Data: <8A&#149;&#135;            > 38 41 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021687951E90, 16 bytes long.
 Data: < A&#149;&#135;            > 10 41 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021687952340, 16 bytes long.
 Data: <&#232;@&#149;&#135;            > E8 40 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021687951BC0, 16 bytes long.
 Data: <&#192;@&#149;&#135;            > C0 40 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000216879525C0, 16 bytes long.
 Data: <&#224;&#188;&#148;&#135;            > E0 BC 94 87 16 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002168794BCE0, 40 bytes long.
 Data: <&#192;%&#149;&#135;     Hc&#137;    > C0 25 95 87 16 02 00 00 20 48 63 89 16 02 00 00 
{252} normal block at 0x00000216879529D0, 16 bytes long.
 Data: <&#160;@&#149;&#135;            > A0 40 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000216879522F0, 16 bytes long.
 Data: <x@&#149;&#135;            > 78 40 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002168794D9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x00000216879522A0, 16 bytes long.
 Data: <P@&#149;&#135;            > 50 40 95 87 16 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000021687954050, 992 bytes long.
 Data: <&#160;"&#149;&#135;    &#176;&#217;&#148;&#135;    > A0 22 95 87 16 02 00 00 B0 D9 94 87 16 02 00 00 
{84} normal block at 0x000002168794D530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000021687947150, 16 bytes long.
 Data: <&#208;&#192;&#148;&#135;            > D0 C0 94 87 16 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002168794C0D0, 40 bytes long.
 Data: <Pq&#148;&#135;    0&#213;&#148;&#135;    > 50 71 94 87 16 02 00 00 30 D5 94 87 16 02 00 00 
{61} normal block at 0x00000216879479C0, 16 bytes long.
 Data: <&#128;&#234;&#204;&#139;&#247;           > 80 EA CC 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000216879471F0, 16 bytes long.
 Data: <@&#233;&#204;&#139;&#247;           > 40 E9 CC 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021687947240, 16 bytes long.
 Data: <&#248;W&#201;&#139;&#247;           > F8 57 C9 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021687947970, 16 bytes long.
 Data: <&#216;W&#201;&#139;&#247;           > D8 57 C9 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021687946F70, 16 bytes long.
 Data: <P &#201;&#139;&#247;           > 50 04 C9 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021687947420, 16 bytes long.
 Data: <0 &#201;&#139;&#247;           > 30 04 C9 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000216879474C0, 16 bytes long.
 Data: <&#224; &#201;&#139;&#247;           > E0 02 C9 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021687947650, 16 bytes long.
 Data: <  &#201;&#139;&#247;           > 10 04 C9 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000216879473D0, 16 bytes long.
 Data: <p &#201;&#139;&#247;           > 70 04 C9 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000021687947790, 16 bytes long.
 Data: < &#192;&#199;&#139;&#247;           > 18 C0 C7 8B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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