Task 38674282

Name test_882-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND9604_0
Workunit 31616327
Created 26 Oct 2026, 4:49:05 UTC
Sent 26 Oct 2026, 4:49:11 UTC
Report deadline 31 Oct 2026, 4:49:11 UTC
Received 26 Oct 2026, 5:22:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604231
Run time 27 min 21 sec
CPU time 26 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.64 MB
Peak swap size 13.15 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:53:58 (27712): wrapper (7.9.26016): starting
23:53:58 (27712): 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
23:53:59 (27712): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:53:59 (27712): 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 'M:\BOINC\slots\24\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 'M:\BOINC\slots\24\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
00:20:28 (27712): C:/Windows/system32/cmd.exe exited; CPU time 1564.843750
00:20:28 (27712): 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: 29354295 bytes.
Dumping objects ->
{3835626} normal block at 0x000001B596B850A0, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835615} normal block at 0x000001B5988C56D0, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835604} normal block at 0x000001B5988C61B0, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835593} normal block at 0x000001B5988C5730, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835582} normal block at 0x000001B5988C58B0, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835551} normal block at 0x000001B596B853B0, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x000001B596B7A7C0, 200 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) : {3835537} normal block at 0x000001B596B7E260, 8 bytes long.
 Data: <   &#151;&#181;   > 00 00 13 97 B5 01 00 00 
{3834737} normal block at 0x000001B596B7AD10, 200 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 0x000001B596B7D540, 8 bytes long.
 Data: <&#224;F&#184;&#150;&#181;   > E0 46 B8 96 B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B596B80D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B596B75EA0, 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 0x000001B596B85C80, 16 bytes long.
 Data: < h&#184;&#150;&#181;           > 88 68 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B596B864A0, 16 bytes long.
 Data: <`h&#184;&#150;&#181;           > 60 68 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B596B7F3D0, 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 0x000001B596B86130, 16 bytes long.
 Data: <8h&#184;&#150;&#181;           > 38 68 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B596B85B90, 16 bytes long.
 Data: < h&#184;&#150;&#181;           > 10 68 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B596B85960, 16 bytes long.
 Data: <&#232;g&#184;&#150;&#181;           > E8 67 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B596B86220, 16 bytes long.
 Data: <&#192;g&#184;&#150;&#181;           > C0 67 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B596B85110, 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 0x000001B596B85780, 16 bytes long.
 Data: < &#245;&#182;&#150;&#181;           > 08 F5 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B596B7F070, 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 0x000001B596B85870, 16 bytes long.
 Data: <&#224;&#244;&#182;&#150;&#181;           > E0 F4 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B596B85B40, 16 bytes long.
 Data: <&#184;&#244;&#182;&#150;&#181;           > B8 F4 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B596B861D0, 16 bytes long.
 Data: < &#244;&#182;&#150;&#181;           > 90 F4 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B596B85690, 16 bytes long.
 Data: <h&#244;&#182;&#150;&#181;           > 68 F4 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B596B85AF0, 16 bytes long.
 Data: <@&#244;&#182;&#150;&#181;           > 40 F4 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B596B86360, 16 bytes long.
 Data: < &#244;&#182;&#150;&#181;           > 18 F4 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B596B7F370, 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 0x000001B596B85AA0, 16 bytes long.
 Data: <&#240;&#243;&#182;&#150;&#181;           > F0 F3 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B596B6F3F0, 320 bytes long.
 Data: <&#160;Z&#184;&#150;&#181;   p&#243;&#183;&#150;&#181;   > A0 5A B8 96 B5 01 00 00 70 F3 B7 96 B5 01 00 00 
{277} normal block at 0x000001B596B85A50, 16 bytes long.
 Data: <&#160;g&#184;&#150;&#181;           > A0 67 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B596B860E0, 16 bytes long.
 Data: <xg&#184;&#150;&#181;           > 78 67 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B596B7F2B0, 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 0x000001B596B85DC0, 16 bytes long.
 Data: <Pg&#184;&#150;&#181;           > 50 67 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B596B7EC50, 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 0x000001B596B863B0, 16 bytes long.
 Data: < f&#184;&#150;&#181;           > 98 66 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B596B856E0, 16 bytes long.
 Data: <pf&#184;&#150;&#181;           > 70 66 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B596B858C0, 16 bytes long.
 Data: <Hf&#184;&#150;&#181;           > 48 66 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B596B857D0, 16 bytes long.
 Data: < f&#184;&#150;&#181;           > 20 66 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B596B85FF0, 16 bytes long.
 Data: <&#248;e&#184;&#150;&#181;           > F8 65 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B596B85F50, 16 bytes long.
 Data: <&#208;e&#184;&#150;&#181;           > D0 65 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B596B85F00, 16 bytes long.
 Data: < M&#184;&#150;&#181;           > 90 4D B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B596B84D90, 40 bytes long.
 Data: < _&#184;&#150;&#181;   &#176;S&#184;&#150;&#181;   > 00 5F B8 96 B5 01 00 00 B0 53 B8 96 B5 01 00 00 
{263} normal block at 0x000001B596B86450, 16 bytes long.
 Data: <&#176;e&#184;&#150;&#181;           > B0 65 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B596B859B0, 16 bytes long.
 Data: < e&#184;&#150;&#181;           > 88 65 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B596B7F0D0, 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 0x000001B596B86310, 16 bytes long.
 Data: <`e&#184;&#150;&#181;           > 60 65 B8 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B596B86560, 992 bytes long.
 Data: < c&#184;&#150;&#181;   &#208;&#240;&#183;&#150;&#181;   > 10 63 B8 96 B5 01 00 00 D0 F0 B7 96 B5 01 00 00 
{95} normal block at 0x000001B596B7F610, 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 0x000001B596B7E210, 16 bytes long.
 Data: <&#160;&#213;&#182;&#150;&#181;           > A0 D5 B6 96 B5 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B596B6D5A0, 40 bytes long.
 Data: < &#226;&#183;&#150;&#181;    &#246;&#183;&#150;&#181;   > 10 E2 B7 96 B5 01 00 00 10 F6 B7 96 B5 01 00 00 
{72} normal block at 0x000001B596B7E170, 16 bytes long.
 Data: < &#234;&#215;Z&#247;           > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B596B7DB30, 16 bytes long.
 Data: <@&#233;&#215;Z&#247;           > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B596B7D310, 16 bytes long.
 Data: <&#248;W&#212;Z&#247;           > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B596B7DE50, 16 bytes long.
 Data: <&#216;W&#212;Z&#247;           > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B596B7DF90, 16 bytes long.
 Data: <P &#212;Z&#247;           > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B596B7DEF0, 16 bytes long.
 Data: <0 &#212;Z&#247;           > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B596B7E030, 16 bytes long.
 Data: <&#224; &#212;Z&#247;           > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B596B7DD60, 16 bytes long.
 Data: <  &#212;Z&#247;           > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B596B7D3B0, 16 bytes long.
 Data: <p &#212;Z&#247;           > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B596B7D7C0, 16 bytes long.
 Data: < &#192;&#210;Z&#247;           > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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