Task 38683423

Name test_274-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4459_0
Workunit 31624981
Created 27 Oct 2026, 11:47:19 UTC
Sent 27 Oct 2026, 11:47:27 UTC
Report deadline 1 Nov 2026, 11:47:27 UTC
Received 27 Oct 2026, 13:20:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 41 min 20 sec
CPU time 37 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.52 MB
Peak swap size 11.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:39:56 (29268): wrapper (7.9.26016): starting
08:39:56 (29268): 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
08:39:58 (29268): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:39:58 (29268): 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\28\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\28\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
09:19:22 (29268): C:/Windows/system32/cmd.exe exited; CPU time 2274.656250
09:19:22 (29268): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 49323465 bytes.
Dumping objects ->
{3835284} normal block at 0x000001269497DA40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x0000012692CC4890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x0000012692CC4820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x0000012692CC46D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000012692CC4660, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x00000126949C9E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000126949DE5D0, 102 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) : {3835195} normal block at 0x0000012692CBF8C0, 8 bytes long.
 Data: <  &#199;&#146;&   > 00 00 C7 92 26 01 00 00 
{3834571} normal block at 0x00000126949DE940, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000012692CBF730, 8 bytes long.
 Data: < 9&#162;&#148;&   > 80 39 A2 94 26 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000012692CB5FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000012692CB7AF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000012692CC5EC0, 16 bytes long.
 Data: < g&#204;&#146;&           > 08 67 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012692CC5510, 16 bytes long.
 Data: <&#224;f&#204;&#146;&           > E0 66 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012692CC10A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000012692CC5830, 16 bytes long.
 Data: <&#184;f&#204;&#146;&           > B8 66 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012692CC5560, 16 bytes long.
 Data: < f&#204;&#146;&           > 90 66 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012692CC55B0, 16 bytes long.
 Data: <hf&#204;&#146;&           > 68 66 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012692CC60A0, 16 bytes long.
 Data: <@f&#204;&#146;&           > 40 66 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012692CC4B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000012692CC5B50, 16 bytes long.
 Data: <&#248;&#159;&#203;&#146;&           > F8 9F CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012692CC1640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000012692CC5420, 16 bytes long.
 Data: <&#208;&#159;&#203;&#146;&           > D0 9F CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012692CC5790, 16 bytes long.
 Data: <&#168;&#159;&#203;&#146;&           > A8 9F CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012692CC6000, 16 bytes long.
 Data: < &#159;&#203;&#146;&           > 80 9F CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012692CC5DD0, 16 bytes long.
 Data: <X&#159;&#203;&#146;&           > 58 9F CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012692CC5740, 16 bytes long.
 Data: <0&#159;&#203;&#146;&           > 30 9F CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012692CC5BF0, 16 bytes long.
 Data: < &#159;&#203;&#146;&           > 08 9F CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012692CC1520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000012692CC5F10, 16 bytes long.
 Data: <&#224;&#158;&#203;&#146;&           > E0 9E CB 92 26 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012692CB9EE0, 320 bytes long.
 Data: < _&#204;&#146;&     &#204;&#146;&   > 10 5F CC 92 26 01 00 00 20 15 CC 92 26 01 00 00 
{277} normal block at 0x0000012692CC57E0, 16 bytes long.
 Data: < f&#204;&#146;&           > 20 66 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012692CC5FB0, 16 bytes long.
 Data: <&#248;e&#204;&#146;&           > F8 65 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012692CC0FE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000012692CC56F0, 16 bytes long.
 Data: <&#208;e&#204;&#146;&           > D0 65 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012692CC0DA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000012692CC5A60, 16 bytes long.
 Data: < e&#204;&#146;&           > 18 65 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012692CC5C90, 16 bytes long.
 Data: <&#240;d&#204;&#146;&           > F0 64 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012692CC5BA0, 16 bytes long.
 Data: <&#200;d&#204;&#146;&           > C8 64 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012692CC5600, 16 bytes long.
 Data: <&#160;d&#204;&#146;&           > A0 64 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012692CC5650, 16 bytes long.
 Data: <xd&#204;&#146;&           > 78 64 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012692CC6050, 16 bytes long.
 Data: <Pd&#204;&#146;&           > 50 64 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012692CC5A10, 16 bytes long.
 Data: <&#192;J&#204;&#146;&           > C0 4A CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012692CC4AC0, 40 bytes long.
 Data: < Z&#204;&#146;&    &#158;&#156;&#148;&   > 10 5A CC 92 26 01 00 00 00 9E 9C 94 26 01 00 00 
{263} normal block at 0x0000012692CC54C0, 16 bytes long.
 Data: <0d&#204;&#146;&           > 30 64 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012692CC5E70, 16 bytes long.
 Data: < d&#204;&#146;&           > 08 64 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012692CC14C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000012692CC5880, 16 bytes long.
 Data: <&#224;c&#204;&#146;&           > E0 63 CC 92 26 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012692CC63E0, 992 bytes long.
 Data: < X&#204;&#146;&   &#192; &#204;&#146;&   > 80 58 CC 92 26 01 00 00 C0 14 CC 92 26 01 00 00 
{95} normal block at 0x0000012692CC0C20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000012692CBFD70, 16 bytes long.
 Data: <`&#201;&#202;&#146;&           > 60 C9 CA 92 26 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000012692CAC960, 40 bytes long.
 Data: <p&#253;&#203;&#146;&     &#204;&#146;&   > 70 FD CB 92 26 01 00 00 20 0C CC 92 26 01 00 00 
{72} normal block at 0x0000012692CC0220, 16 bytes long.
 Data: < &#234;g[&#246;           > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012692CC0310, 16 bytes long.
 Data: <@&#233;g[&#246;           > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012692CC0540, 16 bytes long.
 Data: <&#248;Wd[&#246;           > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012692CC0130, 16 bytes long.
 Data: <&#216;Wd[&#246;           > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012692CC01D0, 16 bytes long.
 Data: <P d[&#246;           > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012692CBFEB0, 16 bytes long.
 Data: <0 d[&#246;           > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012692CC0590, 16 bytes long.
 Data: <&#224; d[&#246;           > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012692CBF820, 16 bytes long.
 Data: <  d[&#246;           > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012692CBFC80, 16 bytes long.
 Data: <p d[&#246;           > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012692CBF7D0, 16 bytes long.
 Data: < &#192;b[&#246;           > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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