Task 38687727

Name test_401-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8527_0
Workunit 31629108
Created 28 Oct 2026, 9:26:32 UTC
Sent 28 Oct 2026, 9:26:35 UTC
Report deadline 2 Nov 2026, 9:26:35 UTC
Received 28 Oct 2026, 10:46:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 23 min 39 sec
CPU time 21 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.48 MB
Peak swap size 6.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:22:53 (13740): wrapper (7.9.26016): starting
11:22:53 (13740): 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
11:22:54 (13740): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:22:54 (13740): 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\3\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\3\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
11:45:30 (13740): C:/Windows/system32/cmd.exe exited; CPU time 1301.859375
11:45:30 (13740): 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: 21770989 bytes.
Dumping objects ->
{3835601} normal block at 0x000001B8FC5F07D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000001B8FC5F0060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x000001B8FC5EFA40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x000001B8FC5EFB90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x000001B8FA8D4A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x000001B8FC665300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x000001B8FC67E650, 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) : {3835512} normal block at 0x000001B8FA8CE950, 8 bytes long.
 Data: <  &#219;&#250;&#184;   > 00 00 DB FA B8 01 00 00 
{3834713} normal block at 0x000001B8FC67EFF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001B8FA8CECC0, 8 bytes long.
 Data: < Yo&#252;&#184;   > 90 59 6F FC B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B8FA8D1550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B8FA8C66F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B8FA8D5D30, 16 bytes long.
 Data: <xg&#141;&#250;&#184;           > 78 67 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B8FA8D6190, 16 bytes long.
 Data: <Pg&#141;&#250;&#184;           > 50 67 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B8FA8D0500, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B8FA8D57E0, 16 bytes long.
 Data: <(g&#141;&#250;&#184;           > 28 67 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B8FA8D5B50, 16 bytes long.
 Data: < g&#141;&#250;&#184;           > 00 67 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B8FA8D56F0, 16 bytes long.
 Data: <&#216;f&#141;&#250;&#184;           > D8 66 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B8FA8D5A60, 16 bytes long.
 Data: <&#176;f&#141;&#250;&#184;           > B0 66 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B8FA8D4820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B8FA8D59C0, 16 bytes long.
 Data: <(&#230;&#140;&#250;&#184;           > 28 E6 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B8FA8D04A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B8FA8D6000, 16 bytes long.
 Data: < &#230;&#140;&#250;&#184;           > 00 E6 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B8FA8D5A10, 16 bytes long.
 Data: <&#216;&#229;&#140;&#250;&#184;           > D8 E5 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B8FA8D5790, 16 bytes long.
 Data: <&#176;&#229;&#140;&#250;&#184;           > B0 E5 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B8FA8D5F60, 16 bytes long.
 Data: < &#229;&#140;&#250;&#184;           > 88 E5 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B8FA8D5FB0, 16 bytes long.
 Data: <`&#229;&#140;&#250;&#184;           > 60 E5 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B8FA8D60A0, 16 bytes long.
 Data: <8&#229;&#140;&#250;&#184;           > 38 E5 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B8FA8D02C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B8FA8D55B0, 16 bytes long.
 Data: < &#229;&#140;&#250;&#184;           > 10 E5 8C FA B8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B8FA8CE510, 320 bytes long.
 Data: <&#176;U&#141;&#250;&#184;   &#192; &#141;&#250;&#184;   > B0 55 8D FA B8 01 00 00 C0 02 8D FA B8 01 00 00 
{276} normal block at 0x000001B8FA8D5880, 16 bytes long.
 Data: < f&#141;&#250;&#184;           > 90 66 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B8FA8D5C90, 16 bytes long.
 Data: <hf&#141;&#250;&#184;           > 68 66 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B8FA8CF7E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B8FA8D58D0, 16 bytes long.
 Data: <@f&#141;&#250;&#184;           > 40 66 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B8FA8CFDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B8FA8D6140, 16 bytes long.
 Data: < e&#141;&#250;&#184;           > 88 65 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B8FA8D5740, 16 bytes long.
 Data: <`e&#141;&#250;&#184;           > 60 65 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B8FA8D5BF0, 16 bytes long.
 Data: <8e&#141;&#250;&#184;           > 38 65 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B8FA8D5EC0, 16 bytes long.
 Data: < e&#141;&#250;&#184;           > 10 65 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B8FA8D5E20, 16 bytes long.
 Data: <&#232;d&#141;&#250;&#184;           > E8 64 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B8FA8D5560, 16 bytes long.
 Data: <&#192;d&#141;&#250;&#184;           > C0 64 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B8FA8D5E70, 16 bytes long.
 Data: <0K&#141;&#250;&#184;           > 30 4B 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B8FA8D4B30, 40 bytes long.
 Data: <p^&#141;&#250;&#184;    Sf&#252;&#184;   > 70 5E 8D FA B8 01 00 00 00 53 66 FC B8 01 00 00 
{262} normal block at 0x000001B8FA8D56A0, 16 bytes long.
 Data: <&#160;d&#141;&#250;&#184;           > A0 64 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B8FA8D5920, 16 bytes long.
 Data: <xd&#141;&#250;&#184;           > 78 64 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B8FA8CF780, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B8FA8D53D0, 16 bytes long.
 Data: <Pd&#141;&#250;&#184;           > 50 64 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B8FA8D6450, 992 bytes long.
 Data: <&#208;S&#141;&#250;&#184;    &#247;&#140;&#250;&#184;   > D0 53 8D FA B8 01 00 00 80 F7 8C FA B8 01 00 00 
{94} normal block at 0x000001B8FA8D05C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B8FA8CF490, 16 bytes long.
 Data: <@G&#141;&#250;&#184;           > 40 47 8D FA B8 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B8FA8D4740, 40 bytes long.
 Data: < &#244;&#140;&#250;&#184;   &#192; &#141;&#250;&#184;   > 90 F4 8C FA B8 01 00 00 C0 05 8D FA B8 01 00 00 
{71} normal block at 0x000001B8FA8CF580, 16 bytes long.
 Data: < &#234;8 &#246;           > 80 EA 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B8FA8CEBD0, 16 bytes long.
 Data: <@&#233;8 &#246;           > 40 E9 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B8FA8CF5D0, 16 bytes long.
 Data: <&#248;W5 &#246;           > F8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B8FA8CE860, 16 bytes long.
 Data: <&#216;W5 &#246;           > D8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B8FA8CEB80, 16 bytes long.
 Data: <P 5 &#246;           > 50 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B8FA8CF6C0, 16 bytes long.
 Data: <0 5 &#246;           > 30 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B8FA8CEF40, 16 bytes long.
 Data: <&#224; 5 &#246;           > E0 02 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B8FA8CED10, 16 bytes long.
 Data: <  5 &#246;           > 10 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B8FA8CEC20, 16 bytes long.
 Data: <p 5 &#246;           > 70 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B8FA8CF530, 16 bytes long.
 Data: < &#192;3 &#246;           > 18 C0 33 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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