Task 38688336

Name test_541-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND8000_0
Workunit 31629691
Created 28 Oct 2026, 13:12:05 UTC
Sent 28 Oct 2026, 13:12:08 UTC
Report deadline 2 Nov 2026, 13:12:08 UTC
Received 28 Oct 2026, 14:02:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 23 min 23 sec
CPU time 16 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.79 MB
Peak swap size 11.52 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:41:53 (14764): wrapper (7.9.26016): starting
09:41:53 (14764): 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
09:41:55 (14764): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:41:55 (14764): 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\13\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\13\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
10:00:23 (14764): C:/Windows/system32/cmd.exe exited; CPU time 1002.953125
10:00:23 (14764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 21782727 bytes.
Dumping objects ->
{3835525} normal block at 0x000001C4E3592BC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001C4E3592990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001C4E3592B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x000001C4E35928B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001C4E3592AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000001C4E521A780, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x000001C4E35F7AE0, 140 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) : {3835436} normal block at 0x000001C4E358D670, 8 bytes long.
 Data: <  &#150;&#227;&#196;   > 00 00 96 E3 C4 01 00 00 
{3834686} normal block at 0x000001C4E35F8710, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001C4E358E3E0, 8 bytes long.
 Data: <  /&#229;&#196;   > 90 0C 2F E5 C4 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C4E3585D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C4E3586970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001C4E3593F20, 16 bytes long.
 Data: < DY&#227;&#196;           > 98 44 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C4E3593570, 16 bytes long.
 Data: <pDY&#227;&#196;           > 70 44 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C4E358E8C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001C4E35931B0, 16 bytes long.
 Data: <HDY&#227;&#196;           > 48 44 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C4E3594100, 16 bytes long.
 Data: < DY&#227;&#196;           > 20 44 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C4E3593340, 16 bytes long.
 Data: <&#248;CY&#227;&#196;           > F8 43 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C4E3593750, 16 bytes long.
 Data: <&#208;CY&#227;&#196;           > D0 43 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C4E3592CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001C4E3593CA0, 16 bytes long.
 Data: < &#243;W&#227;&#196;           > 08 F3 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C4E358F1C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001C4E35935C0, 16 bytes long.
 Data: <&#224;&#242;W&#227;&#196;           > E0 F2 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C4E3593660, 16 bytes long.
 Data: <&#184;&#242;W&#227;&#196;           > B8 F2 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C4E3593520, 16 bytes long.
 Data: < &#242;W&#227;&#196;           > 90 F2 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C4E3593C00, 16 bytes long.
 Data: <h&#242;W&#227;&#196;           > 68 F2 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C4E35932F0, 16 bytes long.
 Data: <@&#242;W&#227;&#196;           > 40 F2 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C4E3593980, 16 bytes long.
 Data: < &#242;W&#227;&#196;           > 18 F2 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C4E358F280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001C4E35937F0, 16 bytes long.
 Data: <&#240;&#241;W&#227;&#196;           > F0 F1 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C4E357F1F0, 320 bytes long.
 Data: <&#240;7Y&#227;&#196;    &#242;X&#227;&#196;   > F0 37 59 E3 C4 01 00 00 80 F2 58 E3 C4 01 00 00 
{274} normal block at 0x000001C4E3593200, 16 bytes long.
 Data: <&#176;CY&#227;&#196;           > B0 43 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C4E3593890, 16 bytes long.
 Data: < CY&#227;&#196;           > 88 43 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C4E358E6E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001C4E35934D0, 16 bytes long.
 Data: <`CY&#227;&#196;           > 60 43 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C4E358ECE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001C4E35937A0, 16 bytes long.
 Data: <&#168;BY&#227;&#196;           > A8 42 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C4E3593700, 16 bytes long.
 Data: < BY&#227;&#196;           > 80 42 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C4E3593BB0, 16 bytes long.
 Data: <XBY&#227;&#196;           > 58 42 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C4E3593C50, 16 bytes long.
 Data: <0BY&#227;&#196;           > 30 42 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C4E3593610, 16 bytes long.
 Data: < BY&#227;&#196;           > 08 42 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C4E35936B0, 16 bytes long.
 Data: <&#224;AY&#227;&#196;           > E0 41 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C4E3593B60, 16 bytes long.
 Data: < *Y&#227;&#196;           > 00 2A 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C4E3592A00, 40 bytes long.
 Data: <`;Y&#227;&#196;    &#167;!&#229;&#196;   > 60 3B 59 E3 C4 01 00 00 80 A7 21 E5 C4 01 00 00 
{260} normal block at 0x000001C4E3593ED0, 16 bytes long.
 Data: <&#192;AY&#227;&#196;           > C0 41 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C4E3593D90, 16 bytes long.
 Data: < AY&#227;&#196;           > 98 41 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C4E358F4C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001C4E3593390, 16 bytes long.
 Data: <pAY&#227;&#196;           > 70 41 59 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C4E3594170, 992 bytes long.
 Data: < 3Y&#227;&#196;   &#192;&#244;X&#227;&#196;   > 90 33 59 E3 C4 01 00 00 C0 F4 58 E3 C4 01 00 00 
{92} normal block at 0x000001C4E358E800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001C4E358DD50, 16 bytes long.
 Data: < &#215;W&#227;&#196;           > 80 D7 57 E3 C4 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001C4E357D780, 40 bytes long.
 Data: <P&#221;X&#227;&#196;    &#232;X&#227;&#196;   > 50 DD 58 E3 C4 01 00 00 00 E8 58 E3 C4 01 00 00 
{69} normal block at 0x000001C4E358D800, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C4E358DD00, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C4E358DCB0, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C4E358E480, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C4E358DC10, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C4E358DC60, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C4E358E070, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C4E358E340, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C4E358E2F0, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C4E358DBC0, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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