Task 38649748

Name test_132-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND3849_0
Workunit 31594331
Created 23 Oct 2026, 22:00:55 UTC
Sent 23 Oct 2026, 22:40:12 UTC
Report deadline 28 Oct 2026, 22:40:12 UTC
Received 24 Oct 2026, 0:02:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 39 min 43 sec
CPU time 33 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.15 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:23:25 (45144): wrapper (7.9.26016): starting
02:23:25 (45144): 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
02:23:26 (45144): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:23:26 (45144): 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
03:02:08 (45144): C:/Windows/system32/cmd.exe exited; CPU time 1985.421875
03:02:08 (45144): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 32450493 bytes.
Dumping objects ->
{3835555} normal block at 0x000001D328383DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x000001D3283841E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001D326625530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x000001D326625290, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000001D326625760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x000001D3282F8640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000001D3282203B0, 155 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) : {3835466} normal block at 0x000001D32661E530, 8 bytes long.
 Data: <  _&&#211;   > 00 00 5F 26 D3 01 00 00 
{3834693} normal block at 0x000001D3282202D0, 155 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 0x000001D32661DE50, 8 bytes long.
 Data: < &#187;d&&#211;   > 20 BB 64 26 D3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D326621AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D326617050, 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 0x000001D326626070, 16 bytes long.
 Data: <8pb&&#211;           > 38 70 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D326625EE0, 16 bytes long.
 Data: < pb&&#211;           > 10 70 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D32661FBD0, 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 0x000001D326625E90, 16 bytes long.
 Data: <&#232;ob&&#211;           > E8 6F 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D326626930, 16 bytes long.
 Data: <&#192;ob&&#211;           > C0 6F 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D326625E40, 16 bytes long.
 Data: < ob&&#211;           > 98 6F 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D326626AC0, 16 bytes long.
 Data: <pob&&#211;           > 70 6F 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D326625610, 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 0x000001D326626020, 16 bytes long.
 Data: <h&#150;a&&#211;           > 68 96 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D326620110, 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 0x000001D326626A70, 16 bytes long.
 Data: <@&#150;a&&#211;           > 40 96 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D3266263E0, 16 bytes long.
 Data: < &#150;a&&#211;           > 18 96 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D326625DF0, 16 bytes long.
 Data: <&#240;&#149;a&&#211;           > F0 95 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D326625DA0, 16 bytes long.
 Data: <&#200;&#149;a&&#211;           > C8 95 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D3266265C0, 16 bytes long.
 Data: <&#160;&#149;a&&#211;           > A0 95 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D326625F30, 16 bytes long.
 Data: <x&#149;a&&#211;           > 78 95 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D32661FF90, 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 0x000001D326626520, 16 bytes long.
 Data: <P&#149;a&&#211;           > 50 95 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D326619550, 320 bytes long.
 Data: < eb&&#211;   &#144;&#255;a&&#211;   > 20 65 62 26 D3 01 00 00 90 FF 61 26 D3 01 00 00 
{276} normal block at 0x000001D326626890, 16 bytes long.
 Data: <Pob&&#211;           > 50 6F 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D3266267F0, 16 bytes long.
 Data: <(ob&&#211;           > 28 6F 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D32661FFF0, 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 0x000001D3266262A0, 16 bytes long.
 Data: < ob&&#211;           > 00 6F 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D326620590, 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 0x000001D326625FD0, 16 bytes long.
 Data: <Hnb&&#211;           > 48 6E 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D326626CA0, 16 bytes long.
 Data: < nb&&#211;           > 20 6E 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D3266261B0, 16 bytes long.
 Data: <&#248;mb&&#211;           > F8 6D 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D326626C50, 16 bytes long.
 Data: <&#208;mb&&#211;           > D0 6D 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D326626980, 16 bytes long.
 Data: <&#168;mb&&#211;           > A8 6D 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D326626C00, 16 bytes long.
 Data: <&#128;mb&&#211;           > 80 6D 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D3266267A0, 16 bytes long.
 Data: <&#128;Vb&&#211;           > 80 56 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D326625680, 40 bytes long.
 Data: <&#160;gb&&#211;   @&#134;/(&#211;   > A0 67 62 26 D3 01 00 00 40 86 2F 28 D3 01 00 00 
{262} normal block at 0x000001D326626A20, 16 bytes long.
 Data: <`mb&&#211;           > 60 6D 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D326626B10, 16 bytes long.
 Data: <8mb&&#211;           > 38 6D 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D326620950, 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 0x000001D326626840, 16 bytes long.
 Data: < mb&&#211;           > 10 6D 62 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D326626D10, 992 bytes long.
 Data: <@hb&&#211;   P	b&&#211;   > 40 68 62 26 D3 01 00 00 50 09 62 26 D3 01 00 00 
{94} normal block at 0x000001D326620530, 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 0x000001D32661DEF0, 16 bytes long.
 Data: <&#128;&#244;a&&#211;           > 80 F4 61 26 D3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D32661F480, 40 bytes long.
 Data: <&#240;&#222;a&&#211;   0 b&&#211;   > F0 DE 61 26 D3 01 00 00 30 05 62 26 D3 01 00 00 
{71} normal block at 0x000001D32661E170, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D32661DB80, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D32661E120, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D32661E080, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D32661E4E0, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D32661DF40, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D32661DD10, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D32661E3A0, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D32661DDB0, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D32661E440, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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