Task 38695641

Name test_337-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7834_1
Workunit 31636322
Created 31 Oct 2026, 13:18:50 UTC
Sent 31 Oct 2026, 13:18:55 UTC
Report deadline 5 Nov 2026, 13:18:55 UTC
Received 31 Oct 2026, 17:25:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523907
Run time 3 hours 17 min 25 sec
CPU time 3 hours 14 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,865.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 633.65 MB
Peak swap size 2.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
14:20:58 (27236): wrapper (7.9.26016): starting
14:20:58 (27236): 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
14:21:00 (27236): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:21:00 (27236): 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\5\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\5\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
17:37:30 (27236): C:/Windows/system32/cmd.exe exited; CPU time 11699.343750
17:37:30 (27236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 183970527 bytes.
Dumping objects ->
{3835274} normal block at 0x0000020173602800, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835263} normal block at 0x0000020173602720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x0000020170F05950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835241} normal block at 0x0000020170F05BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x0000020170F05790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835199} normal block at 0x000002017364E9C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835186} normal block at 0x0000020170EFB940, 8 bytes long.
 Data: <  &#218;p    > 00 00 DA 70 01 02 00 00 
{3833965} normal block at 0x0000020170EFB300, 8 bytes long.
 Data: <&#224;&#191;&#238;p    > E0 BF EE 70 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020170EF18A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020170F01920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000020170F066B0, 16 bytes long.
 Data: < r&#240;p            > 18 72 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020170F06660, 16 bytes long.
 Data: <&#240;q&#240;p            > F0 71 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020170EFFB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000020170F06D40, 16 bytes long.
 Data: <&#200;q&#240;p            > C8 71 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020170F06070, 16 bytes long.
 Data: <&#160;q&#240;p            > A0 71 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020170F06B10, 16 bytes long.
 Data: <xq&#240;p            > 78 71 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020170F064D0, 16 bytes long.
 Data: <Pq&#240;p            > 50 71 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020170F05800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000020170F06020, 16 bytes long.
 Data: <( &#239;p            > 28 00 EF 70 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020170EFF650, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000020170F06430, 16 bytes long.
 Data: <  &#239;p            > 00 00 EF 70 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020170F05FD0, 16 bytes long.
 Data: <&#216;&#255;&#238;p            > D8 FF EE 70 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020170F06200, 16 bytes long.
 Data: <&#176;&#255;&#238;p            > B0 FF EE 70 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020170F067A0, 16 bytes long.
 Data: < &#255;&#238;p            > 88 FF EE 70 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020170F069D0, 16 bytes long.
 Data: <`&#255;&#238;p            > 60 FF EE 70 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020170F06480, 16 bytes long.
 Data: <8&#255;&#238;p            > 38 FF EE 70 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020170EFF050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000020170F06E80, 16 bytes long.
 Data: < &#255;&#238;p            > 10 FF EE 70 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020170EEFF10, 320 bytes long.
 Data: < n&#240;p    P&#240;&#239;p    > 80 6E F0 70 01 02 00 00 50 F0 EF 70 01 02 00 00 
{278} normal block at 0x0000020170F06390, 16 bytes long.
 Data: <0q&#240;p            > 30 71 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020170F06E30, 16 bytes long.
 Data: < q&#240;p            > 08 71 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020170EFF9B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000020170F06890, 16 bytes long.
 Data: <&#224;p&#240;p            > E0 70 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020170EFFD70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000020170F06840, 16 bytes long.
 Data: <(p&#240;p            > 28 70 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020170F06CF0, 16 bytes long.
 Data: < p&#240;p            > 00 70 F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020170F06160, 16 bytes long.
 Data: <&#216;o&#240;p            > D8 6F F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020170F067F0, 16 bytes long.
 Data: <&#176;o&#240;p            > B0 6F F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020170F06A70, 16 bytes long.
 Data: < o&#240;p            > 88 6F F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020170F06610, 16 bytes long.
 Data: <`o&#240;p            > 60 6F F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020170F06DE0, 16 bytes long.
 Data: <0Z&#240;p            > 30 5A F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020170F05A30, 40 bytes long.
 Data: <&#224;m&#240;p    &#192;&#233;ds    > E0 6D F0 70 01 02 00 00 C0 E9 64 73 01 02 00 00 
{264} normal block at 0x0000020170F06520, 16 bytes long.
 Data: <@o&#240;p            > 40 6F F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020170F06AC0, 16 bytes long.
 Data: < o&#240;p            > 18 6F F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020170EFF8F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000020170F065C0, 16 bytes long.
 Data: <&#240;n&#240;p            > F0 6E F0 70 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020170F06EF0, 992 bytes long.
 Data: <&#192;e&#240;p    &#240;&#248;&#239;p    > C0 65 F0 70 01 02 00 00 F0 F8 EF 70 01 02 00 00 
{96} normal block at 0x0000020170EFF710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000020170EFB170, 16 bytes long.
 Data: <&#160;&#254;&#238;p            > A0 FE EE 70 01 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020170EEFEA0, 40 bytes long.
 Data: <p&#177;&#239;p     &#247;&#239;p    > 70 B1 EF 70 01 02 00 00 10 F7 EF 70 01 02 00 00 
{73} normal block at 0x0000020170EFB620, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 08 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020170EFB1C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 08 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020170EFB990, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 05 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020170EFB120, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 05 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020170EFB580, 16 bytes long.
 Data: <P   &#246;           > 50 04 05 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020170EFB210, 16 bytes long.
 Data: <0   &#246;           > 30 04 05 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020170EFB2B0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 05 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020170EFB4E0, 16 bytes long.
 Data: <    &#246;           > 10 04 05 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020170EFB710, 16 bytes long.
 Data: <p   &#246;           > 70 04 05 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020170EFB0D0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 03 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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