Task 38679999

Name test_45-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7240_1
Workunit 31621675
Created 26 Oct 2026, 22:27:46 UTC
Sent 26 Oct 2026, 22:27:46 UTC
Report deadline 31 Oct 2026, 22:27:46 UTC
Received 26 Oct 2026, 23:44:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651345
Run time 19 min 37 sec
CPU time 17 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.13 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:22:08 (13768): wrapper (7.9.26016): starting
18:22:08 (13768): 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
18:22:09 (13768): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:22:09 (13768): 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
18:41:11 (13768): C:/Windows/system32/cmd.exe exited; CPU time 1075.218750
18:41:11 (13768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14002197 bytes.
Dumping objects ->
{3835567} normal block at 0x0000022C627E3B70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x0000022C627E37F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x0000022C627E3A20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x0000022C627E3B00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x0000022C627E35C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x0000022C64674F30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000022C6458E9D0, 235 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) : {3835478} normal block at 0x0000022C627DEBD0, 8 bytes long.
 Data: <  &#205;b,   > 00 00 CD 62 2C 02 00 00 
{3834701} normal block at 0x0000022C627CE160, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000022C627DDF50, 8 bytes long.
 Data: < ?pd,   > 20 3F 70 64 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000022C627E0920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C627CF5A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000022C627E4B40, 16 bytes long.
 Data: <8W~b,           > 38 57 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C627E4AA0, 16 bytes long.
 Data: < W~b,           > 10 57 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C627DEED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000022C627E49B0, 16 bytes long.
 Data: <&#232;V~b,           > E8 56 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C627E4780, 16 bytes long.
 Data: <&#192;V~b,           > C0 56 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C627E42D0, 16 bytes long.
 Data: < V~b,           > 98 56 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022C627E4500, 16 bytes long.
 Data: <pV~b,           > 70 56 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C627CE7A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000022C627E41E0, 16 bytes long.
 Data: <8&#231;|b,           > 38 E7 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C627DEE10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000022C627E4CD0, 16 bytes long.
 Data: < &#231;|b,           > 10 E7 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C627E4E60, 16 bytes long.
 Data: <&#232;&#230;|b,           > E8 E6 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C627E4280, 16 bytes long.
 Data: <&#192;&#230;|b,           > C0 E6 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C627E46E0, 16 bytes long.
 Data: < &#230;|b,           > 98 E6 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C627E4DC0, 16 bytes long.
 Data: <p&#230;|b,           > 70 E6 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C627E4190, 16 bytes long.
 Data: <H&#230;|b,           > 48 E6 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C627DF110, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000022C627E4960, 16 bytes long.
 Data: < &#230;|b,           > 20 E6 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C627CE620, 320 bytes long.
 Data: <`I~b,    &#241;}b,   > 60 49 7E 62 2C 02 00 00 10 F1 7D 62 2C 02 00 00 
{272} normal block at 0x0000022C627E45F0, 16 bytes long.
 Data: <PV~b,           > 50 56 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C627E4910, 16 bytes long.
 Data: <(V~b,           > 28 56 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C627DEDB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000022C627E4140, 16 bytes long.
 Data: < V~b,           > 00 56 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C627DEE70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000022C627E4370, 16 bytes long.
 Data: <HU~b,           > 48 55 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022C627E4410, 16 bytes long.
 Data: < U~b,           > 20 55 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C627E4C30, 16 bytes long.
 Data: <&#248;T~b,           > F8 54 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C627E4820, 16 bytes long.
 Data: <&#208;T~b,           > D0 54 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022C627E4D70, 16 bytes long.
 Data: <&#168;T~b,           > A8 54 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C627E4AF0, 16 bytes long.
 Data: < T~b,           > 80 54 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022C627E43C0, 16 bytes long.
 Data: <&#192;&#191;|b,           > C0 BF 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022C627CBFC0, 40 bytes long.
 Data: <&#192;C~b,   0Ogd,   > C0 43 7E 62 2C 02 00 00 30 4F 67 64 2C 02 00 00 
{258} normal block at 0x0000022C627E4690, 16 bytes long.
 Data: <`T~b,           > 60 54 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022C627E4640, 16 bytes long.
 Data: <8T~b,           > 38 54 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022C627DED50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000022C627E4050, 16 bytes long.
 Data: < T~b,           > 10 54 7E 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022C627E5410, 992 bytes long.
 Data: <P@~b,   P&#237;}b,   > 50 40 7E 62 2C 02 00 00 50 ED 7D 62 2C 02 00 00 
{90} normal block at 0x0000022C627DF530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000022C627DE590, 16 bytes long.
 Data: < &#197;|b,           > 90 C5 7C 62 2C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000022C627CC590, 40 bytes long.
 Data: < &#229;}b,   0&#245;}b,   > 90 E5 7D 62 2C 02 00 00 30 F5 7D 62 2C 02 00 00 
{67} normal block at 0x0000022C627DE860, 16 bytes long.
 Data: < &#234; &#174;&#246;           > 80 EA 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C627DE1D0, 16 bytes long.
 Data: <@&#233; &#174;&#246;           > 40 E9 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C627DE9F0, 16 bytes long.
 Data: <&#248;W &#174;&#246;           > F8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022C627DE130, 16 bytes long.
 Data: <&#216;W &#174;&#246;           > D8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C627DDE60, 16 bytes long.
 Data: <P  &#174;&#246;           > 50 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C627DDD70, 16 bytes long.
 Data: <0  &#174;&#246;           > 30 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022C627DE090, 16 bytes long.
 Data: <&#224;  &#174;&#246;           > E0 02 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022C627DE040, 16 bytes long.
 Data: <   &#174;&#246;           > 10 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022C627DE2C0, 16 bytes long.
 Data: <p  &#174;&#246;           > 70 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022C627DE8B0, 16 bytes long.
 Data: < &#192; &#174;&#246;           > 18 C0 15 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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