Task 38662498

Name test_838-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND3376_0
Workunit 31605753
Created 24 Oct 2026, 19:22:43 UTC
Sent 24 Oct 2026, 19:22:47 UTC
Report deadline 29 Oct 2026, 19:22:47 UTC
Received 26 Oct 2026, 8:29:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 34 min 45 sec
CPU time 29 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.16 MB
Peak swap size 3.81 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:55:21 (19616): wrapper (7.9.26016): starting
08:55:21 (19616): 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
08:55:23 (19616): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:55:23 (19616): 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 'E:\BOINC\slots\11\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 'E:\BOINC\slots\11\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
09:28:57 (19616): C:/Windows/system32/cmd.exe exited; CPU time 1788.578125
09:28:57 (19616): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 34514949 bytes.
Dumping objects ->
{3835522} normal block at 0x000001724BC368E0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x000001724D716390, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x000001724D716030, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x000001724D7161B0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x000001724D716150, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x000001724BC36250, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000001724BC06B60, 8 bytes long.
 Data: <  &#185;Kr   > 00 00 B9 4B 72 01 00 00 
{3833955} normal block at 0x000001724BC074C0, 8 bytes long.
 Data: <&#208;&#232;XMr   > D0 E8 58 4D 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001724BC11730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001724BC0CDF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001724BC12F40, 16 bytes long.
 Data: <(<&#193;Kr           > 28 3C C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001724BC12CC0, 16 bytes long.
 Data: < <&#193;Kr           > 00 3C C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001724BC0C450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001724BC12C20, 16 bytes long.
 Data: <&#216;;&#193;Kr           > D8 3B C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001724BC12EF0, 16 bytes long.
 Data: <&#176;;&#193;Kr           > B0 3B C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001724BC12EA0, 16 bytes long.
 Data: < ;&#193;Kr           > 88 3B C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001724BC12A90, 16 bytes long.
 Data: <`;&#193;Kr           > 60 3B C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001724BC0D2C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001724BC12950, 16 bytes long.
 Data: <&#216;^&#191;Kr           > D8 5E BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001724BC0BDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001724BC129F0, 16 bytes long.
 Data: <&#176;^&#191;Kr           > B0 5E BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001724BC126D0, 16 bytes long.
 Data: < ^&#191;Kr           > 88 5E BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001724BC13300, 16 bytes long.
 Data: <`^&#191;Kr           > 60 5E BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001724BC13490, 16 bytes long.
 Data: <8^&#191;Kr           > 38 5E BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001724BC12680, 16 bytes long.
 Data: < ^&#191;Kr           > 10 5E BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001724BC12E00, 16 bytes long.
 Data: <&#232;]&#191;Kr           > E8 5D BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001724BC0BC70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001724BC132B0, 16 bytes long.
 Data: <&#192;]&#191;Kr           > C0 5D BF 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001724BBF5DC0, 320 bytes long.
 Data: <&#176;2&#193;Kr   p&#188;&#192;Kr   > B0 32 C1 4B 72 01 00 00 70 BC C0 4B 72 01 00 00 
{273} normal block at 0x000001724BC12540, 16 bytes long.
 Data: <@;&#193;Kr           > 40 3B C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001724BC127C0, 16 bytes long.
 Data: < ;&#193;Kr           > 18 3B C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001724BC0B970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001724BC12C70, 16 bytes long.
 Data: <&#240;:&#193;Kr           > F0 3A C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001724BC0B850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001724BC133F0, 16 bytes long.
 Data: <8:&#193;Kr           > 38 3A C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001724BC12BD0, 16 bytes long.
 Data: < :&#193;Kr           > 10 3A C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001724BC12E50, 16 bytes long.
 Data: <&#232;9&#193;Kr           > E8 39 C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001724BC129A0, 16 bytes long.
 Data: <&#192;9&#193;Kr           > C0 39 C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001724BC12DB0, 16 bytes long.
 Data: < 9&#193;Kr           > 98 39 C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001724BC12A40, 16 bytes long.
 Data: <p9&#193;Kr           > 70 39 C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001724BC128B0, 16 bytes long.
 Data: <&#208;&#213;&#192;Kr           > D0 D5 C0 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001724BC0D5D0, 40 bytes long.
 Data: <&#176;(&#193;Kr   Pb&#195;Kr   > B0 28 C1 4B 72 01 00 00 50 62 C3 4B 72 01 00 00 
{259} normal block at 0x000001724BC12B30, 16 bytes long.
 Data: <P9&#193;Kr           > 50 39 C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001724BC13440, 16 bytes long.
 Data: <(9&#193;Kr           > 28 39 C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001724BC0BFD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001724BC125E0, 16 bytes long.
 Data: < 9&#193;Kr           > 00 39 C1 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001724BC13900, 992 bytes long.
 Data: <&#224;%&#193;Kr   &#208;&#191;&#192;Kr   > E0 25 C1 4B 72 01 00 00 D0 BF C0 4B 72 01 00 00 
{91} normal block at 0x000001724BC0BF10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001724BC073D0, 16 bytes long.
 Data: <&#224;&#209;&#192;Kr           > E0 D1 C0 4B 72 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001724BC0D1E0, 40 bytes long.
 Data: <&#208;s&#192;Kr    &#191;&#192;Kr   > D0 73 C0 4B 72 01 00 00 10 BF C0 4B 72 01 00 00 
{68} normal block at 0x000001724BC07100, 16 bytes long.
 Data: < &#234;j&#140;&#246;           > 80 EA 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001724BC06D40, 16 bytes long.
 Data: <@&#233;j&#140;&#246;           > 40 E9 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001724BC06980, 16 bytes long.
 Data: <&#248;Wg&#140;&#246;           > F8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001724BC070B0, 16 bytes long.
 Data: <&#216;Wg&#140;&#246;           > D8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001724BC07060, 16 bytes long.
 Data: <P g&#140;&#246;           > 50 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001724BC06E30, 16 bytes long.
 Data: <0 g&#140;&#246;           > 30 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001724BC06FC0, 16 bytes long.
 Data: <&#224; g&#140;&#246;           > E0 02 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001724BC06C00, 16 bytes long.
 Data: <  g&#140;&#246;           > 10 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001724BC06F70, 16 bytes long.
 Data: <p g&#140;&#246;           > 70 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001724BC07600, 16 bytes long.
 Data: < &#192;e&#140;&#246;           > 18 C0 65 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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