Task 38697712

Name test_469-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7570_0
Workunit 31638269
Created 1 Nov 2026, 20:04:57 UTC
Sent 1 Nov 2026, 20:04:58 UTC
Report deadline 6 Nov 2026, 20:04:58 UTC
Received 1 Nov 2026, 21:19:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618585
Run time 33 min 18 sec
CPU time 31 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.81 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:46:25 (21472): wrapper (7.9.26016): starting
21:46:25 (21472): 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
21:46:27 (21472): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:46:27 (21472): 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\6\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\6\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
22:18:23 (21472): C:/Windows/system32/cmd.exe exited; CPU time 1895.921875
22:18:23 (21472): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 34968525 bytes.
Dumping objects ->
{3835645} normal block at 0x000001C8346A9850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835634} normal block at 0x000001C832894D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835623} normal block at 0x000001C832894AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835612} normal block at 0x000001C832894D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x000001C832894840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835570} normal block at 0x000001C8346B6C80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x000001C8328FA310, 140 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) : {3835556} normal block at 0x000001C83288E820, 8 bytes long.
 Data: <  &#213;2&#200;   > 00 00 D5 32 C8 01 00 00 
{3834734} normal block at 0x000001C8328F9FD0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001C83288EE60, 8 bytes long.
 Data: <&#160;Yq4&#200;   > A0 59 71 34 C8 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C832890980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C832885D80, 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 0x000001C8328955A0, 16 bytes long.
 Data: <Xf&#137;2&#200;           > 58 66 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C832895730, 16 bytes long.
 Data: <0f&#137;2&#200;           > 30 66 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C83288FCB0, 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 0x000001C8328957D0, 16 bytes long.
 Data: < f&#137;2&#200;           > 08 66 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C832895640, 16 bytes long.
 Data: <&#224;e&#137;2&#200;           > E0 65 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C8328962C0, 16 bytes long.
 Data: <&#184;e&#137;2&#200;           > B8 65 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C8328959B0, 16 bytes long.
 Data: < e&#137;2&#200;           > 90 65 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C8328948B0, 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 0x000001C832895550, 16 bytes long.
 Data: <&#248;  2&#200;           > F8 8F 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C83288FAD0, 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 0x000001C832895460, 16 bytes long.
 Data: <&#208;  2&#200;           > D0 8F 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C832895FF0, 16 bytes long.
 Data: <&#168;  2&#200;           > A8 8F 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C832895D70, 16 bytes long.
 Data: <   2&#200;           > 80 8F 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C832895910, 16 bytes long.
 Data: <X  2&#200;           > 58 8F 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C8328954B0, 16 bytes long.
 Data: <0  2&#200;           > 30 8F 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C8328956E0, 16 bytes long.
 Data: <   2&#200;           > 08 8F 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C832890730, 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 0x000001C832895E60, 16 bytes long.
 Data: <&#224;&#142; 2&#200;           > E0 8E 88 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C832888EE0, 320 bytes long.
 Data: <`^&#137;2&#200;   0 &#137;2&#200;   > 60 5E 89 32 C8 01 00 00 30 07 89 32 C8 01 00 00 
{278} normal block at 0x000001C832895500, 16 bytes long.
 Data: <pe&#137;2&#200;           > 70 65 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C832895C30, 16 bytes long.
 Data: <He&#137;2&#200;           > 48 65 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C8328902B0, 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 0x000001C832895870, 16 bytes long.
 Data: < e&#137;2&#200;           > 20 65 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C8328906D0, 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 0x000001C832896180, 16 bytes long.
 Data: <hd&#137;2&#200;           > 68 64 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C832895370, 16 bytes long.
 Data: <@d&#137;2&#200;           > 40 64 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C8328955F0, 16 bytes long.
 Data: < d&#137;2&#200;           > 18 64 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C832895410, 16 bytes long.
 Data: <&#240;c&#137;2&#200;           > F0 63 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C832895B40, 16 bytes long.
 Data: <&#200;c&#137;2&#200;           > C8 63 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C832895960, 16 bytes long.
 Data: <&#160;c&#137;2&#200;           > A0 63 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C832896040, 16 bytes long.
 Data: < J&#137;2&#200;           > 00 4A 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C832894A00, 40 bytes long.
 Data: <@`&#137;2&#200;    lk4&#200;   > 40 60 89 32 C8 01 00 00 80 6C 6B 34 C8 01 00 00 
{264} normal block at 0x000001C832895A50, 16 bytes long.
 Data: < c&#137;2&#200;           > 80 63 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C832896090, 16 bytes long.
 Data: <Xc&#137;2&#200;           > 58 63 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C8328900D0, 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 0x000001C832896130, 16 bytes long.
 Data: <0c&#137;2&#200;           > 30 63 89 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C832896330, 992 bytes long.
 Data: <0a&#137;2&#200;   &#208; &#137;2&#200;   > 30 61 89 32 C8 01 00 00 D0 00 89 32 C8 01 00 00 
{96} normal block at 0x000001C832890430, 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 0x000001C83288EAF0, 16 bytes long.
 Data: <&#160;&#212;&#135;2&#200;           > A0 D4 87 32 C8 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C83287D4A0, 40 bytes long.
 Data: <&#240;&#234; 2&#200;   0 &#137;2&#200;   > F0 EA 88 32 C8 01 00 00 30 04 89 32 C8 01 00 00 
{73} normal block at 0x000001C83288E9B0, 16 bytes long.
 Data: < &#234;&#230;&#212;&#246;           > 80 EA E6 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C83288F770, 16 bytes long.
 Data: <@&#233;&#230;&#212;&#246;           > 40 E9 E6 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C83288F180, 16 bytes long.
 Data: <&#248;W&#227;&#212;&#246;           > F8 57 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C83288E960, 16 bytes long.
 Data: <&#216;W&#227;&#212;&#246;           > D8 57 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C83288EB90, 16 bytes long.
 Data: <P &#227;&#212;&#246;           > 50 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C83288F130, 16 bytes long.
 Data: <0 &#227;&#212;&#246;           > 30 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C83288EBE0, 16 bytes long.
 Data: <&#224; &#227;&#212;&#246;           > E0 02 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C83288E870, 16 bytes long.
 Data: <  &#227;&#212;&#246;           > 10 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C83288EA00, 16 bytes long.
 Data: <p &#227;&#212;&#246;           > 70 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C83288F4F0, 16 bytes long.
 Data: < &#192;&#225;&#212;&#246;           > 18 C0 E1 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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