Task 38685381

Name test_54-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4596_0
Workunit 31626850
Created 27 Oct 2026, 20:47:26 UTC
Sent 27 Oct 2026, 20:47:28 UTC
Report deadline 1 Nov 2026, 20:47:28 UTC
Received 27 Oct 2026, 22:22:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 31 min 38 sec
CPU time 27 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.20 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:50:53 (46456): wrapper (7.9.26016): starting
16:50:53 (46456): 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
16:51:07 (46456): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:51:07 (46456): 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\35\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\35\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
17:21:39 (46456): C:/Windows/system32/cmd.exe exited; CPU time 1664.828125
17:21:39 (46456): 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: 22581947 bytes.
Dumping objects ->
{3835571} normal block at 0x000001A0F68F0F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x000001A0F68F11E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835549} normal block at 0x000001A0F68F1100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835538} normal block at 0x000001A0F68F1410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x000001A0F68F1560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835496} normal block at 0x000001A0F699B8A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835485} normal block at 0x000001A0F69FC940, 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) : {3835481} normal block at 0x000001A0F4CE6CD0, 8 bytes long.
 Data: <  &#196;&#244;&#160;   > 00 00 C4 F4 A0 01 00 00 
{3834692} normal block at 0x000001A0F69FC890, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001A0F4CE6C80, 8 bytes long.
 Data: < x&#168;&#246;&#160;   > 00 78 A8 F6 A0 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001A0F4CF0E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A0F4CDADE0, 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 0x000001A0F4CF2AE0, 16 bytes long.
 Data: <&#168;4&#207;&#244;&#160;           > A8 34 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A0F4CF26D0, 16 bytes long.
 Data: < 4&#207;&#244;&#160;           > 80 34 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A0F4CEDE80, 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 0x000001A0F4CF2590, 16 bytes long.
 Data: <X4&#207;&#244;&#160;           > 58 34 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A0F4CF2540, 16 bytes long.
 Data: <04&#207;&#244;&#160;           > 30 34 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A0F4CF24A0, 16 bytes long.
 Data: < 4&#207;&#244;&#160;           > 08 34 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A0F4CF29F0, 16 bytes long.
 Data: <&#224;3&#207;&#244;&#160;           > E0 33 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A0F4CEB300, 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 0x000001A0F4CF2400, 16 bytes long.
 Data: <H&#186;&#205;&#244;&#160;           > 48 BA CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A0F4CEE180, 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 0x000001A0F4CF1E10, 16 bytes long.
 Data: < &#186;&#205;&#244;&#160;           > 20 BA CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A0F4CF1EB0, 16 bytes long.
 Data: <&#248;&#185;&#205;&#244;&#160;           > F8 B9 CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A0F4CF2A90, 16 bytes long.
 Data: <&#208;&#185;&#205;&#244;&#160;           > D0 B9 CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A0F4CF24F0, 16 bytes long.
 Data: <&#168;&#185;&#205;&#244;&#160;           > A8 B9 CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A0F4CF2CC0, 16 bytes long.
 Data: < &#185;&#205;&#244;&#160;           > 80 B9 CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A0F4CF2D10, 16 bytes long.
 Data: <X&#185;&#205;&#244;&#160;           > 58 B9 CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A0F4CEDE20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001A0F4CF2270, 16 bytes long.
 Data: <0&#185;&#205;&#244;&#160;           > 30 B9 CD F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A0F4CDB930, 320 bytes long.
 Data: <p"&#207;&#244;&#160;    &#222;&#206;&#244;&#160;   > 70 22 CF F4 A0 01 00 00 20 DE CE F4 A0 01 00 00 
{270} normal block at 0x000001A0F4CF1F50, 16 bytes long.
 Data: <&#192;3&#207;&#244;&#160;           > C0 33 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A0F4CF21D0, 16 bytes long.
 Data: < 3&#207;&#244;&#160;           > 98 33 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A0F4CEDDC0, 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 0x000001A0F4CF2180, 16 bytes long.
 Data: <p3&#207;&#244;&#160;           > 70 33 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A0F4CEDEE0, 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 0x000001A0F4CF2090, 16 bytes long.
 Data: <&#184;2&#207;&#244;&#160;           > B8 32 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A0F4CF2450, 16 bytes long.
 Data: < 2&#207;&#244;&#160;           > 90 32 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A0F4CF29A0, 16 bytes long.
 Data: <h2&#207;&#244;&#160;           > 68 32 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A0F4CF1FA0, 16 bytes long.
 Data: <@2&#207;&#244;&#160;           > 40 32 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A0F4CF23B0, 16 bytes long.
 Data: < 2&#207;&#244;&#160;           > 18 32 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A0F4CF2630, 16 bytes long.
 Data: <&#240;1&#207;&#244;&#160;           > F0 31 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A0F4CF2950, 16 bytes long.
 Data: <@&#177;&#206;&#244;&#160;           > 40 B1 CE F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A0F4CEB140, 40 bytes long.
 Data: <P)&#207;&#244;&#160;   &#160;&#184; &#246;&#160;   > 50 29 CF F4 A0 01 00 00 A0 B8 99 F6 A0 01 00 00 
{256} normal block at 0x000001A0F4CF2040, 16 bytes long.
 Data: <&#208;1&#207;&#244;&#160;           > D0 31 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A0F4CF28B0, 16 bytes long.
 Data: <&#168;1&#207;&#244;&#160;           > A8 31 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001A0F4CEDD00, 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 0x000001A0F4CF2A40, 16 bytes long.
 Data: < 1&#207;&#244;&#160;           > 80 31 CF F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A0F4CF3180, 992 bytes long.
 Data: <@*&#207;&#244;&#160;    &#221;&#206;&#244;&#160;   > 40 2A CF F4 A0 01 00 00 00 DD CE F4 A0 01 00 00 
{88} normal block at 0x000001A0F4CED700, 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 0x000001A0F4CE6E60, 16 bytes long.
 Data: <&#192;&#180;&#206;&#244;&#160;           > C0 B4 CE F4 A0 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001A0F4CEB4C0, 40 bytes long.
 Data: <`n&#206;&#244;&#160;    &#215;&#206;&#244;&#160;   > 60 6E CE F4 A0 01 00 00 00 D7 CE F4 A0 01 00 00 
{65} normal block at 0x000001A0F4CE6500, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A0F4CE64B0, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A0F4CE7220, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A0F4CE6AF0, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A0F4CE6AA0, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A0F4CE6D70, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A0F4CE62D0, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A0F4CE6A50, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A0F4CE65F0, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A0F4CE6460, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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