Task 38679743

Name test_253-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8557_0
Workunit 31621506
Created 26 Oct 2026, 21:36:25 UTC
Sent 26 Oct 2026, 21:36:33 UTC
Report deadline 31 Oct 2026, 21:36:33 UTC
Received 26 Oct 2026, 22:08:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639137
Run time 31 min 10 sec
CPU time 28 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.86 MB
Peak swap size 8.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:38:24 (32292): wrapper (7.9.26016): starting
01:38:24 (32292): 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
01:38:26 (32292): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:38:26 (32292): 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\10\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\10\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
02:08:02 (32292): C:/Windows/system32/cmd.exe exited; CPU time 1706.468750
02:08:02 (32292): 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: 47692091 bytes.
Dumping objects ->
{3835387} normal block at 0x00000155311FD3E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x00000155311FD8B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000001552F4A54C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835354} normal block at 0x000001552F4A5450, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835343} normal block at 0x000001552F4A53E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835312} normal block at 0x000001553124BF30, 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) : {3835299} normal block at 0x000001552F49D820, 8 bytes long.
 Data: <  F/U   > 00 00 46 2F 55 01 00 00 
{3833968} normal block at 0x000001552F49E3B0, 8 bytes long.
 Data: <`&#215;H/U   > 60 D7 48 2F 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001552F4A0F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001552F496A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001552F4A68F0, 16 bytes long.
 Data: <(mJ/U           > 28 6D 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001552F4A6620, 16 bytes long.
 Data: < mJ/U           > 00 6D 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001552F4A03E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001552F4A63A0, 16 bytes long.
 Data: <&#216;lJ/U           > D8 6C 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001552F4A6350, 16 bytes long.
 Data: <&#176;lJ/U           > B0 6C 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001552F4A6120, 16 bytes long.
 Data: < lJ/U           > 88 6C 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001552F4A60D0, 16 bytes long.
 Data: <`lJ/U           > 60 6C 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001552F4A5370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001552F4A62B0, 16 bytes long.
 Data: <&#184;&#242;H/U           > B8 F2 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001552F4A0860, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001552F4A65D0, 16 bytes long.
 Data: < &#242;H/U           > 90 F2 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001552F4A6440, 16 bytes long.
 Data: <h&#242;H/U           > 68 F2 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001552F4A5AE0, 16 bytes long.
 Data: <@&#242;H/U           > 40 F2 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001552F4A5A90, 16 bytes long.
 Data: < &#242;H/U           > 18 F2 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001552F4A5CC0, 16 bytes long.
 Data: <&#240;&#241;H/U           > F0 F1 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001552F4A5F90, 16 bytes long.
 Data: <&#200;&#241;H/U           > C8 F1 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001552F4A06E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001552F4A67B0, 16 bytes long.
 Data: <&#160;&#241;H/U           > A0 F1 48 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001552F48F1A0, 320 bytes long.
 Data: <&#176;gJ/U   &#224; J/U   > B0 67 4A 2F 55 01 00 00 E0 06 4A 2F 55 01 00 00 
{277} normal block at 0x000001552F4A6210, 16 bytes long.
 Data: <@lJ/U           > 40 6C 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001552F4A5B80, 16 bytes long.
 Data: < lJ/U           > 18 6C 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001552F4A02C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001552F4A6260, 16 bytes long.
 Data: <&#240;kJ/U           > F0 6B 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001552F4A07A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001552F4A6300, 16 bytes long.
 Data: <8kJ/U           > 38 6B 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001552F4A6580, 16 bytes long.
 Data: < kJ/U           > 10 6B 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001552F4A6530, 16 bytes long.
 Data: <&#232;jJ/U           > E8 6A 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001552F4A5D60, 16 bytes long.
 Data: <&#192;jJ/U           > C0 6A 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001552F4A6490, 16 bytes long.
 Data: < jJ/U           > 98 6A 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001552F4A61C0, 16 bytes long.
 Data: <pjJ/U           > 70 6A 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001552F4A63F0, 16 bytes long.
 Data: <@QJ/U           > 40 51 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001552F4A5140, 40 bytes long.
 Data: <&#240;cJ/U   0&#191;$1U   > F0 63 4A 2F 55 01 00 00 30 BF 24 31 55 01 00 00 
{263} normal block at 0x000001552F4A6670, 16 bytes long.
 Data: <PjJ/U           > 50 6A 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001552F4A6170, 16 bytes long.
 Data: <(jJ/U           > 28 6A 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001552F49FF60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001552F4A5E00, 16 bytes long.
 Data: < jJ/U           > 00 6A 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001552F4A6A00, 992 bytes long.
 Data: < ^J/U   `&#255;I/U   > 00 5E 4A 2F 55 01 00 00 60 FF 49 2F 55 01 00 00 
{95} normal block at 0x000001552F49FDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001552F49DD70, 16 bytes long.
 Data: <&#208;PJ/U           > D0 50 4A 2F 55 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001552F4A50D0, 40 bytes long.
 Data: <p&#221;I/U   &#224;&#253;I/U   > 70 DD 49 2F 55 01 00 00 E0 FD 49 2F 55 01 00 00 
{72} normal block at 0x000001552F49DE10, 16 bytes long.
 Data: < &#234;a&#137;&#246;           > 80 EA 61 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001552F49E0E0, 16 bytes long.
 Data: <@&#233;a&#137;&#246;           > 40 E9 61 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001552F49E090, 16 bytes long.
 Data: <&#248;W^&#137;&#246;           > F8 57 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001552F49D870, 16 bytes long.
 Data: <&#216;W^&#137;&#246;           > D8 57 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001552F49DFF0, 16 bytes long.
 Data: <P ^&#137;&#246;           > 50 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001552F49DCD0, 16 bytes long.
 Data: <0 ^&#137;&#246;           > 30 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001552F49E040, 16 bytes long.
 Data: <&#224; ^&#137;&#246;           > E0 02 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001552F49DFA0, 16 bytes long.
 Data: <  ^&#137;&#246;           > 10 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001552F49DAF0, 16 bytes long.
 Data: <p ^&#137;&#246;           > 70 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001552F49E180, 16 bytes long.
 Data: < &#192;\&#137;&#246;           > 18 C0 5C 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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