Task 38682493

Name test_213-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4161_0
Workunit 31624102
Created 27 Oct 2026, 7:57:17 UTC
Sent 27 Oct 2026, 7:57:19 UTC
Report deadline 1 Nov 2026, 7:57:19 UTC
Received 27 Oct 2026, 14:51:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 13 sec
CPU time 1 hours 43 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 646.27 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:06:12 (17364): wrapper (7.9.26016): starting
09:06:12 (17364): 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
09:06:15 (17364): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:06:15 (17364): 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
10:50:42 (17364): C:/Windows/system32/cmd.exe exited; CPU time 6221.406250
10:50:42 (17364): 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: 77588317 bytes.
Dumping objects ->
{3835209} normal block at 0x00000205CA0E68F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000205CA0E5F50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000205CA0E6E30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x00000205CA0E6340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000205CA0E6420, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x00000205CBC8BF40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x00000205CBCEE1C0, 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) : {3835120} normal block at 0x00000205CA0B57D0, 8 bytes long.
 Data: <  &#162;&#203;    > 00 00 A2 CB 05 02 00 00 
{3834523} normal block at 0x00000205CBCED400, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000205CA0B5780, 8 bytes long.
 Data: < w&#206;&#203;    > 00 77 CE CB 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000205CA0C1C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000205CA0A5C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000205CA0C2C80, 16 bytes long.
 Data: < = &#202;            > 88 3D 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000205CA0C2C30, 16 bytes long.
 Data: <`= &#202;            > 60 3D 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205CA0BBDB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000205CA0C2F50, 16 bytes long.
 Data: <8= &#202;            > 38 3D 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000205CA0C2B40, 16 bytes long.
 Data: < = &#202;            > 10 3D 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000205CA0C39F0, 16 bytes long.
 Data: <&#232;< &#202;            > E8 3C 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000205CA0C2FF0, 16 bytes long.
 Data: <&#192;< &#202;            > C0 3C 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000205CA0BA520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000205CA0C3180, 16 bytes long.
 Data: < &#178; &#202;            > 88 B2 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000205CA0BB4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000205CA0C2EB0, 16 bytes long.
 Data: <`&#178; &#202;            > 60 B2 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000205CA0C34A0, 16 bytes long.
 Data: <8&#178; &#202;            > 38 B2 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000205CA0C3810, 16 bytes long.
 Data: < &#178; &#202;            > 10 B2 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000205CA0C3450, 16 bytes long.
 Data: <&#232;&#177; &#202;            > E8 B1 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000205CA0C33B0, 16 bytes long.
 Data: <&#192;&#177; &#202;            > C0 B1 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000205CA0C3360, 16 bytes long.
 Data: < &#177; &#202;            > 98 B1 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000205CA0BB3F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000205CA0C2BE0, 16 bytes long.
 Data: <p&#177; &#202;            > 70 B1 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000205CA0BB170, 320 bytes long.
 Data: <&#224;+ &#202;    &#240;&#179; &#202;    > E0 2B 0C CA 05 02 00 00 F0 B3 0B CA 05 02 00 00 
{268} normal block at 0x00000205CA0C2AA0, 16 bytes long.
 Data: <&#160;< &#202;            > A0 3C 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000205CA0C3270, 16 bytes long.
 Data: <x< &#202;            > 78 3C 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000205CA0BBBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000205CA0C38B0, 16 bytes long.
 Data: <P< &#202;            > 50 3C 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000205CA0BBF90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000205CA0C2B90, 16 bytes long.
 Data: < ; &#202;            > 98 3B 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000205CA0C3680, 16 bytes long.
 Data: <p; &#202;            > 70 3B 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000205CA0C30E0, 16 bytes long.
 Data: <H; &#202;            > 48 3B 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000205CA0C3220, 16 bytes long.
 Data: < ; &#202;            > 20 3B 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000205CA0C3400, 16 bytes long.
 Data: <&#248;: &#202;            > F8 3A 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000205CA0C2D70, 16 bytes long.
 Data: <&#208;: &#202;            > D0 3A 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000205CA0C2FA0, 16 bytes long.
 Data: < &#162; &#202;            > 80 A2 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000205CA0BA280, 40 bytes long.
 Data: <&#160;/ &#202;    @&#191;&#200;&#203;    > A0 2F 0C CA 05 02 00 00 40 BF C8 CB 05 02 00 00 
{254} normal block at 0x00000205CA0C2D20, 16 bytes long.
 Data: <&#176;: &#202;            > B0 3A 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000205CA0C37C0, 16 bytes long.
 Data: < : &#202;            > 88 3A 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000205CA0BC050, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000205CA0C3130, 16 bytes long.
 Data: <`: &#202;            > 60 3A 0C CA 05 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000205CA0C3A60, 992 bytes long.
 Data: <01 &#202;    P&#192; &#202;    > 30 31 0C CA 05 02 00 00 50 C0 0B CA 05 02 00 00 
{86} normal block at 0x00000205CA0BB750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000205CA0B5500, 16 bytes long.
 Data: <@&#164; &#202;            > 40 A4 0B CA 05 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000205CA0BA440, 40 bytes long.
 Data: < U &#202;    P&#183; &#202;    > 00 55 0B CA 05 02 00 00 50 B7 0B CA 05 02 00 00 
{63} normal block at 0x00000205CA0B6130, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000205CA0B54B0, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000205CA0B5D70, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000205CA0B5EB0, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000205CA0B5A50, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000205CA0B5E60, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000205CA0B5910, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000205CA0B6220, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000205CA0B61D0, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000205CA0B60E0, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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