Task 38654446

Name test_863-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND7337_1
Workunit 31598173
Created 24 Oct 2026, 7:18:59 UTC
Sent 24 Oct 2026, 7:19:03 UTC
Report deadline 29 Oct 2026, 7:19:03 UTC
Received 24 Oct 2026, 9:53:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 31 min 46 sec
CPU time 31 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.73 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>
03:49:24 (18776): wrapper (7.9.26016): starting
03:49:24 (18776): 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
03:49:26 (18776): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:49:26 (18776): 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\0\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\0\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
04:20:43 (18776): C:/Windows/system32/cmd.exe exited; CPU time 1875.921875
04:20:43 (18776): 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: 26778407 bytes.
Dumping objects ->
{3835546} normal block at 0x0000028C6B8F81C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000028C69AD4A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000028C69AD4980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000028C69AD4910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000028C69AD49F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000028C6B904C00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000028C6B91EBF0, 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) : {3835457} normal block at 0x0000028C69ACF290, 8 bytes long.
 Data: <  ek&#140;   > 00 00 65 6B 8C 02 00 00 
{3834682} normal block at 0x0000028C6B91ED50, 102 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 0x0000028C69ACE6B0, 8 bytes long.
 Data: < F&#150;k&#140;   > 10 46 96 6B 8C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028C69AD0950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028C69AC6820, 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 0x0000028C69AD54D0, 16 bytes long.
 Data: <&#168;c&#173;i&#140;           > A8 63 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028C69AD52A0, 16 bytes long.
 Data: < c&#173;i&#140;           > 80 63 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028C69ACFC40, 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 0x0000028C69AD59D0, 16 bytes long.
 Data: <Xc&#173;i&#140;           > 58 63 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028C69AD5160, 16 bytes long.
 Data: <0c&#173;i&#140;           > 30 63 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028C69AD5110, 16 bytes long.
 Data: < c&#173;i&#140;           > 08 63 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028C69AD5700, 16 bytes long.
 Data: <&#224;b&#173;i&#140;           > E0 62 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028C69AD44B0, 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 0x0000028C69AD51B0, 16 bytes long.
 Data: <X &#172;i&#140;           > 58 8F AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028C69AD0060, 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 0x0000028C69AD50C0, 16 bytes long.
 Data: <0 &#172;i&#140;           > 30 8F AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028C69AD6010, 16 bytes long.
 Data: <  &#172;i&#140;           > 08 8F AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028C69AD5930, 16 bytes long.
 Data: <&#224;&#142;&#172;i&#140;           > E0 8E AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028C69AD5FC0, 16 bytes long.
 Data: <&#184;&#142;&#172;i&#140;           > B8 8E AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028C69AD53E0, 16 bytes long.
 Data: < &#142;&#172;i&#140;           > 90 8E AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028C69AD5F70, 16 bytes long.
 Data: <h&#142;&#172;i&#140;           > 68 8E AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028C69ACFA00, 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 0x0000028C69AD5200, 16 bytes long.
 Data: <@&#142;&#172;i&#140;           > 40 8E AC 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028C69AC8E40, 320 bytes long.
 Data: < R&#173;i&#140;    &#250;&#172;i&#140;   > 00 52 AD 69 8C 02 00 00 00 FA AC 69 8C 02 00 00 
{274} normal block at 0x0000028C69AD52F0, 16 bytes long.
 Data: <&#192;b&#173;i&#140;           > C0 62 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028C69AD56B0, 16 bytes long.
 Data: < b&#173;i&#140;           > 98 62 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028C69ACF580, 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 0x0000028C69AD5C50, 16 bytes long.
 Data: <pb&#173;i&#140;           > 70 62 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028C69ACFCA0, 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 0x0000028C69AD5520, 16 bytes long.
 Data: <&#184;a&#173;i&#140;           > B8 61 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028C69AD5C00, 16 bytes long.
 Data: < a&#173;i&#140;           > 90 61 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028C69AD5750, 16 bytes long.
 Data: <ha&#173;i&#140;           > 68 61 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028C69AD55C0, 16 bytes long.
 Data: <@a&#173;i&#140;           > 40 61 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028C69AD5980, 16 bytes long.
 Data: < a&#173;i&#140;           > 18 61 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028C69AD5660, 16 bytes long.
 Data: <&#240;`&#173;i&#140;           > F0 60 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028C69AD5AC0, 16 bytes long.
 Data: < F&#173;i&#140;           > 00 46 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028C69AD4600, 40 bytes long.
 Data: <&#192;Z&#173;i&#140;    L k&#140;   > C0 5A AD 69 8C 02 00 00 00 4C 90 6B 8C 02 00 00 
{260} normal block at 0x0000028C69AD5F20, 16 bytes long.
 Data: <&#208;`&#173;i&#140;           > D0 60 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028C69AD5E80, 16 bytes long.
 Data: <&#168;`&#173;i&#140;           > A8 60 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028C69ACFFA0, 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 0x0000028C69AD5ED0, 16 bytes long.
 Data: < `&#173;i&#140;           > 80 60 AD 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028C69AD6080, 992 bytes long.
 Data: <&#208;^&#173;i&#140;   &#160;&#255;&#172;i&#140;   > D0 5E AD 69 8C 02 00 00 A0 FF AC 69 8C 02 00 00 
{92} normal block at 0x0000028C69AD03C0, 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 0x0000028C69ACF100, 16 bytes long.
 Data: < &#193;&#171;i&#140;           > 80 C1 AB 69 8C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000028C69ABC180, 40 bytes long.
 Data: < &#241;&#172;i&#140;   &#192; &#173;i&#140;   > 00 F1 AC 69 8C 02 00 00 C0 03 AD 69 8C 02 00 00 
{69} normal block at 0x0000028C69ACE660, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028C69ACE610, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028C69ACECF0, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028C69ACEDE0, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028C69ACF4C0, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028C69ACECA0, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028C69ACF1A0, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028C69ACEFC0, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028C69ACE700, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028C69ACF2E0, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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