Task 38676241

Name test_657-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0005_0
Workunit 31618169
Created 26 Oct 2026, 10:42:46 UTC
Sent 26 Oct 2026, 10:42:50 UTC
Report deadline 31 Oct 2026, 10:42:50 UTC
Received 26 Oct 2026, 12:57:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 45 min 1 sec
CPU time 42 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.42 MB
Peak swap size 12.92 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:13:53 (35372): wrapper (7.9.26016): starting
13:13:53 (35372): 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
13:13:55 (35372): Library/usr/bin/tar.exe exited; CPU time 0.046875
13:13:55 (35372): 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
13:56:36 (35372): C:/Windows/system32/cmd.exe exited; CPU time 2538.125000
13:56:36 (35372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 66107293 bytes.
Dumping objects ->
{3835258} normal block at 0x0000027C19581560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000027C195811E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000027C19581410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000027C19580C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000027C195815D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000027C19673820, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000027C1791BDB0, 141 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) : {3835169} normal block at 0x0000027C178C5A80, 8 bytes long.
 Data: <  &#130; |   > 00 00 82 17 7C 02 00 00 
{3834553} normal block at 0x0000027C1791CAB0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000027C178C6070, 8 bytes long.
 Data: <&#192;&#165;&#139; |   > C0 A5 8B 17 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000027C178D0E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027C178D1D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000027C178D2A10, 16 bytes long.
 Data: < 3  |           > 18 33 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027C178D2880, 16 bytes long.
 Data: <&#240;2  |           > F0 32 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027C178CC0C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000027C178D2D30, 16 bytes long.
 Data: <&#200;2  |           > C8 32 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027C178D1ED0, 16 bytes long.
 Data: <&#160;2  |           > A0 32 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027C178D1F20, 16 bytes long.
 Data: <x2  |           > 78 32 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027C178D2100, 16 bytes long.
 Data: <P2  |           > 50 32 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027C178CA490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000027C178D2BA0, 16 bytes long.
 Data: <    |           > 18 1D 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027C178CC240, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000027C178D2CE0, 16 bytes long.
 Data: <&#240;   |           > F0 1C 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027C178D27E0, 16 bytes long.
 Data: <&#200;   |           > C8 1C 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027C178D2010, 16 bytes long.
 Data: <&#160;   |           > A0 1C 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027C178D1FC0, 16 bytes long.
 Data: <x   |           > 78 1C 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027C178D2D80, 16 bytes long.
 Data: <P   |           > 50 1C 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027C178D2740, 16 bytes long.
 Data: <(   |           > 28 1C 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027C178CC1E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000027C178D2970, 16 bytes long.
 Data: <    |           > 00 1C 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027C178D1C00, 320 bytes long.
 Data: <p)  |   &#224;&#193;&#140; |   > 70 29 8D 17 7C 02 00 00 E0 C1 8C 17 7C 02 00 00 
{269} normal block at 0x0000027C178D2470, 16 bytes long.
 Data: <02  |           > 30 32 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027C178D23D0, 16 bytes long.
 Data: < 2  |           > 08 32 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027C178CC000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000027C178D26F0, 16 bytes long.
 Data: <&#224;1  |           > E0 31 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027C178CBEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000027C178D2920, 16 bytes long.
 Data: <(1  |           > 28 31 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027C178D2330, 16 bytes long.
 Data: < 1  |           > 00 31 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027C178D26A0, 16 bytes long.
 Data: <&#216;0  |           > D8 30 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027C178D22E0, 16 bytes long.
 Data: <&#176;0  |           > B0 30 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027C178D25B0, 16 bytes long.
 Data: < 0  |           > 88 30 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027C178D24C0, 16 bytes long.
 Data: <`0  |           > 60 30 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027C178D2650, 16 bytes long.
 Data: < &#168;&#140; |           > 80 A8 8C 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027C178CA880, 40 bytes long.
 Data: <P&  |    8g |   > 50 26 8D 17 7C 02 00 00 20 38 67 19 7C 02 00 00 
{255} normal block at 0x0000027C178D2560, 16 bytes long.
 Data: <@0  |           > 40 30 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027C178D2830, 16 bytes long.
 Data: < 0  |           > 18 30 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027C178CC540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000027C178D1F70, 16 bytes long.
 Data: <&#240;/  |           > F0 2F 8D 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000027C178D2FF0, 992 bytes long.
 Data: <p   |   @&#197;&#140; |   > 70 1F 8D 17 7C 02 00 00 40 C5 8C 17 7C 02 00 00 
{87} normal block at 0x0000027C178CBE20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000027C178C6020, 16 bytes long.
 Data: < &#164;&#140; |           > 20 A4 8C 17 7C 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000027C178CA420, 40 bytes long.
 Data: < `&#140; |    &#190;&#140; |   > 20 60 8C 17 7C 02 00 00 20 BE 8C 17 7C 02 00 00 
{64} normal block at 0x0000027C178C5BC0, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027C178C6570, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027C178C6430, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027C178C5850, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027C178C5940, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027C178C6200, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027C178C6390, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027C178C62F0, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027C178C64D0, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000027C178C63E0, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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