Task 38686486

Name test_765-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7021_0
Workunit 31627918
Created 28 Oct 2026, 2:50:33 UTC
Sent 28 Oct 2026, 2:50:35 UTC
Report deadline 2 Nov 2026, 2:50:35 UTC
Received 28 Oct 2026, 3:50:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 59 min 17 sec
CPU time 53 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.41 MB
Peak swap size 11.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:53:18 (10516): wrapper (7.9.26016): starting
03:53:18 (10516): 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
03:53:20 (10516): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:53:20 (10516): 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\29\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\29\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
04:50:13 (10516): C:/Windows/system32/cmd.exe exited; CPU time 3229.687500
04:50:13 (10516): 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: 47142195 bytes.
Dumping objects ->
{3835220} normal block at 0x000002C227D56550, 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 0x000002C227D55FA0, 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 0x000002C227D557C0, 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 0x000002C227D55980, 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 0x000002C227D559F0, 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 0x000002C229A5B500, 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) : {3835132} normal block at 0x000002C227D273F0, 8 bytes long.
 Data: <  &#202;'&#194;   > 00 00 CA 27 C2 02 00 00 
{3833949} normal block at 0x000002C227D27530, 8 bytes long.
 Data: <`p&#180;)&#194;   > 60 70 B4 29 C2 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002C227D30EE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C227D15C70, 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 0x000002C227D32BF0, 16 bytes long.
 Data: < 5&#211;'&#194;           > 18 35 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C227D32BA0, 16 bytes long.
 Data: <&#240;4&#211;'&#194;           > F0 34 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C227D2E000, 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 0x000002C227D32AB0, 16 bytes long.
 Data: <&#200;4&#211;'&#194;           > C8 34 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C227D31E80, 16 bytes long.
 Data: <&#160;4&#211;'&#194;           > A0 34 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C227D32510, 16 bytes long.
 Data: <x4&#211;'&#194;           > 78 34 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C227D32920, 16 bytes long.
 Data: <P4&#211;'&#194;           > 50 34 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C227D2C240, 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 0x000002C227D328D0, 16 bytes long.
 Data: < \&#209;'&#194;           > 08 5C D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C227D2D5E0, 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 0x000002C227D32790, 16 bytes long.
 Data: <&#224;[&#209;'&#194;           > E0 5B D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C227D32470, 16 bytes long.
 Data: <&#184;[&#209;'&#194;           > B8 5B D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C227D32970, 16 bytes long.
 Data: < [&#209;'&#194;           > 90 5B D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C227D32A10, 16 bytes long.
 Data: <h[&#209;'&#194;           > 68 5B D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C227D32240, 16 bytes long.
 Data: <@[&#209;'&#194;           > 40 5B D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C227D32650, 16 bytes long.
 Data: < [&#209;'&#194;           > 18 5B D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C227D2D580, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000002C227D324C0, 16 bytes long.
 Data: <&#240;Z&#209;'&#194;           > F0 5A D1 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C227D15AF0, 320 bytes long.
 Data: <&#192;$&#211;'&#194;    &#213;&#210;'&#194;   > C0 24 D3 27 C2 02 00 00 80 D5 D2 27 C2 02 00 00 
{270} normal block at 0x000002C227D32B00, 16 bytes long.
 Data: <04&#211;'&#194;           > 30 34 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C227D32560, 16 bytes long.
 Data: < 4&#211;'&#194;           > 08 34 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C227D2DA60, 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 0x000002C227D329C0, 16 bytes long.
 Data: <&#224;3&#211;'&#194;           > E0 33 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C227D2D700, 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 0x000002C227D321F0, 16 bytes long.
 Data: <(3&#211;'&#194;           > 28 33 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C227D321A0, 16 bytes long.
 Data: < 3&#211;'&#194;           > 00 33 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C227D32420, 16 bytes long.
 Data: <&#216;2&#211;'&#194;           > D8 32 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C227D31FC0, 16 bytes long.
 Data: <&#176;2&#211;'&#194;           > B0 32 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C227D32150, 16 bytes long.
 Data: < 2&#211;'&#194;           > 88 32 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C227D31F70, 16 bytes long.
 Data: <`2&#211;'&#194;           > 60 32 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C227D32600, 16 bytes long.
 Data: < &#195;&#210;'&#194;           > 20 C3 D2 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C227D2C320, 40 bytes long.
 Data: < &&#211;'&#194;    &#181;&#165;)&#194;   > 00 26 D3 27 C2 02 00 00 00 B5 A5 29 C2 02 00 00 
{256} normal block at 0x000002C227D32330, 16 bytes long.
 Data: <@2&#211;'&#194;           > 40 32 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002C227D326F0, 16 bytes long.
 Data: < 2&#211;'&#194;           > 18 32 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002C227D2D8E0, 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 0x000002C227D32010, 16 bytes long.
 Data: <&#240;1&#211;'&#194;           > F0 31 D3 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002C227D331F0, 992 bytes long.
 Data: <  &#211;'&#194;   &#224;&#216;&#210;'&#194;   > 10 20 D3 27 C2 02 00 00 E0 D8 D2 27 C2 02 00 00 
{88} normal block at 0x000002C227D2D640, 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 0x000002C227D27CB0, 16 bytes long.
 Data: <&#192;&#197;&#210;'&#194;           > C0 C5 D2 27 C2 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002C227D2C5C0, 40 bytes long.
 Data: <&#176;|&#210;'&#194;   @&#214;&#210;'&#194;   > B0 7C D2 27 C2 02 00 00 40 D6 D2 27 C2 02 00 00 
{65} normal block at 0x000002C227D273A0, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C227D27350, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C227D27A30, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C227D275D0, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C227D28020, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C227D27DA0, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C227D27FD0, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002C227D27B20, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002C227D27D50, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002C227D27F30, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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