Task 38666928

Name test_501-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND2082_0
Workunit 31609653
Created 25 Oct 2026, 5:31:46 UTC
Sent 25 Oct 2026, 5:32:31 UTC
Report deadline 30 Oct 2026, 5:32:31 UTC
Received 25 Oct 2026, 6:33:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 58 min 25 sec
CPU time 58 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.23 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
06:39:44 (6148): wrapper (7.9.26016): starting
06:39:44 (6148): 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
06:39:46 (6148): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:39:46 (6148): 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\171\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\171\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
07:33:05 (6148): C:/Windows/system32/cmd.exe exited; CPU time 3505.046875
07:33:05 (6148): 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: 87376831 bytes.
Dumping objects ->
{3835226} normal block at 0x000002B6BE779220, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002B6BE779ED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000002B6BE779C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000002B6BE7791B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000002B6BE779B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000002B6C03ED5D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000002B6C0577A50, 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) : {3835137} normal block at 0x000002B6BE753300, 8 bytes long.
 Data: <  j&#190;&#182;   > 00 00 6A BE B6 02 00 00 
{3834534} normal block at 0x000002B6C0577980, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002B6BE753FD0, 8 bytes long.
 Data: <P&#208;&#130;&#190;&#182;   > 50 D0 82 BE B6 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002B6BE73D5B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B6BE7348B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002B6BE7535D0, 16 bytes long.
 Data: <xou&#190;&#182;           > 78 6F 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B6BE753580, 16 bytes long.
 Data: <Pou&#190;&#182;           > 50 6F 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B6BE749D50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002B6BE754110, 16 bytes long.
 Data: <(ou&#190;&#182;           > 28 6F 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B6BE7540C0, 16 bytes long.
 Data: < ou&#190;&#182;           > 00 6F 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B6BE754070, 16 bytes long.
 Data: <&#216;nu&#190;&#182;           > D8 6E 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B6BE7532B0, 16 bytes long.
 Data: <&#176;nu&#190;&#182;           > B0 6E 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B6BE751BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002B6BE753F80, 16 bytes long.
 Data: <HHs&#190;&#182;           > 48 48 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B6BE749B70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002B6BE753F30, 16 bytes long.
 Data: < Hs&#190;&#182;           > 20 48 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B6BE753D50, 16 bytes long.
 Data: <&#248;Gs&#190;&#182;           > F8 47 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B6BE753940, 16 bytes long.
 Data: <&#208;Gs&#190;&#182;           > D0 47 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B6BE753CB0, 16 bytes long.
 Data: <&#168;Gs&#190;&#182;           > A8 47 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B6BE753C10, 16 bytes long.
 Data: < Gs&#190;&#182;           > 80 47 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B6BE7538F0, 16 bytes long.
 Data: <XGs&#190;&#182;           > 58 47 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B6BE7494B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002B6BE753260, 16 bytes long.
 Data: <0Gs&#190;&#182;           > 30 47 73 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B6BE734730, 320 bytes long.
 Data: <`2u&#190;&#182;   &#176;&#148;t&#190;&#182;   > 60 32 75 BE B6 02 00 00 B0 94 74 BE B6 02 00 00 
{270} normal block at 0x000002B6BE7534E0, 16 bytes long.
 Data: < nu&#190;&#182;           > 90 6E 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B6BE753AD0, 16 bytes long.
 Data: <hnu&#190;&#182;           > 68 6E 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B6BE749870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002B6BE7541B0, 16 bytes long.
 Data: <@nu&#190;&#182;           > 40 6E 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B6BE748F10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002B6BE753EE0, 16 bytes long.
 Data: < mu&#190;&#182;           > 88 6D 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B6BE753350, 16 bytes long.
 Data: <`mu&#190;&#182;           > 60 6D 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B6BE753E90, 16 bytes long.
 Data: <8mu&#190;&#182;           > 38 6D 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B6BE753DF0, 16 bytes long.
 Data: < mu&#190;&#182;           > 10 6D 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B6BE753C60, 16 bytes long.
 Data: <&#232;lu&#190;&#182;           > E8 6C 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B6BE7537B0, 16 bytes long.
 Data: <&#192;lu&#190;&#182;           > C0 6C 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B6BE753440, 16 bytes long.
 Data: <&#176; u&#190;&#182;           > B0 18 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B6BE7518B0, 40 bytes long.
 Data: <@4u&#190;&#182;   &#208;&#213;>&#192;&#182;   > 40 34 75 BE B6 02 00 00 D0 D5 3E C0 B6 02 00 00 
{256} normal block at 0x000002B6BE753E40, 16 bytes long.
 Data: <&#160;lu&#190;&#182;           > A0 6C 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B6BE753BC0, 16 bytes long.
 Data: <xlu&#190;&#182;           > 78 6C 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002B6BE749390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002B6BE754020, 16 bytes long.
 Data: <Plu&#190;&#182;           > 50 6C 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B6BE756C50, 992 bytes long.
 Data: < @u&#190;&#182;    &#147;t&#190;&#182;   > 20 40 75 BE B6 02 00 00 90 93 74 BE B6 02 00 00 
{88} normal block at 0x000002B6BE749AB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002B6BE7538A0, 16 bytes long.
 Data: <&#160; u&#190;&#182;           > A0 15 75 BE B6 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002B6BE7515A0, 40 bytes long.
 Data: <&#160;8u&#190;&#182;   &#176;&#154;t&#190;&#182;   > A0 38 75 BE B6 02 00 00 B0 9A 74 BE B6 02 00 00 
{65} normal block at 0x000002B6BE748970, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B6BE748920, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B6BE748790, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B6BE748740, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B6BE748560, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B6BE748C90, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B6BE748510, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B6BE747E30, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002B6BE7484C0, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002B6BE7488D0, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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