Task 38684756

Name test_423-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7893_0
Workunit 31626261
Created 27 Oct 2026, 17:51:15 UTC
Sent 27 Oct 2026, 17:51:19 UTC
Report deadline 1 Nov 2026, 17:51:19 UTC
Received 27 Oct 2026, 21:39:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 26 min 32 sec
CPU time 1 hours 16 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.92 MB
Peak swap size 5.23 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:14:32 (27384): wrapper (7.9.26016): starting
13:14:32 (27384): 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
13:14:36 (27384): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:14:36 (27384): 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\3\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\3\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
14:38:34 (27384): C:/Windows/system32/cmd.exe exited; CPU time 4566.484375
14:38:34 (27384): 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: 71135441 bytes.
Dumping objects ->
{3835221} normal block at 0x0000027748241660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000027748241270, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x00000277482409B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x00000277482413C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000277482415F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x000002774834C280, 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) : {3835133} normal block at 0x0000027746716990, 8 bytes long.
 Data: <  %Hw   > 00 00 25 48 77 02 00 00 
{3833949} normal block at 0x00000277467168F0, 8 bytes long.
 Data: < &#233;$Hw   > 10 E9 24 48 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000027746720140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002774670B320, 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 0x0000027746721360, 16 bytes long.
 Data: < 7rFw           > 88 37 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000277467218B0, 16 bytes long.
 Data: <`7rFw           > 60 37 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002774671A940, 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 0x00000277467219F0, 16 bytes long.
 Data: <87rFw           > 38 37 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027746721810, 16 bytes long.
 Data: < 7rFw           > 10 37 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027746721680, 16 bytes long.
 Data: <&#232;6rFw           > E8 36 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027746721400, 16 bytes long.
 Data: <&#192;6rFw           > C0 36 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002774671CD00, 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 0x0000027746721270, 16 bytes long.
 Data: < &#191;pFw           > 88 BF 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002774671B660, 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 0x0000027746721C70, 16 bytes long.
 Data: <`&#191;pFw           > 60 BF 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027746721770, 16 bytes long.
 Data: <8&#191;pFw           > 38 BF 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027746721450, 16 bytes long.
 Data: < &#191;pFw           > 10 BF 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027746721F40, 16 bytes long.
 Data: <&#232;&#190;pFw           > E8 BE 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027746721630, 16 bytes long.
 Data: <&#192;&#190;pFw           > C0 BE 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027746721E00, 16 bytes long.
 Data: < &#190;pFw           > 98 BE 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002774671B120, 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 0x0000027746721B30, 16 bytes long.
 Data: <p&#190;pFw           > 70 BE 70 46 77 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002774670BE70, 320 bytes long.
 Data: <0 rFw    &#177;qFw   > 30 1B 72 46 77 02 00 00 20 B1 71 46 77 02 00 00 
{270} normal block at 0x0000027746721E50, 16 bytes long.
 Data: <&#160;6rFw           > A0 36 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027746721900, 16 bytes long.
 Data: <x6rFw           > 78 36 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002774671B000, 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 0x0000027746721A90, 16 bytes long.
 Data: <P6rFw           > 50 36 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002774671AD60, 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 0x0000027746721CC0, 16 bytes long.
 Data: < 5rFw           > 98 35 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000277467219A0, 16 bytes long.
 Data: <p5rFw           > 70 35 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027746721090, 16 bytes long.
 Data: <H5rFw           > 48 35 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027746721DB0, 16 bytes long.
 Data: < 5rFw           > 20 35 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027746721220, 16 bytes long.
 Data: <&#248;4rFw           > F8 34 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000277467216D0, 16 bytes long.
 Data: <&#208;4rFw           > D0 34 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027746721860, 16 bytes long.
 Data: <&#240;&#201;qFw           > F0 C9 71 46 77 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002774671C9F0, 40 bytes long.
 Data: <` rFw    &#194;4Hw   > 60 18 72 46 77 02 00 00 80 C2 34 48 77 02 00 00 
{256} normal block at 0x00000277467211D0, 16 bytes long.
 Data: <&#176;4rFw           > B0 34 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000277467215E0, 16 bytes long.
 Data: < 4rFw           > 88 34 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002774671AD00, 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 0x0000027746721C20, 16 bytes long.
 Data: <`4rFw           > 60 34 72 46 77 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000027746723460, 992 bytes long.
 Data: <  rFw    &#173;qFw   > 20 1C 72 46 77 02 00 00 00 AD 71 46 77 02 00 00 
{88} normal block at 0x000002774671B2A0, 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 0x0000027746716350, 16 bytes long.
 Data: < &#204;qFw           > 20 CC 71 46 77 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002774671CC20, 40 bytes long.
 Data: <PcqFw   &#160;&#178;qFw   > 50 63 71 46 77 02 00 00 A0 B2 71 46 77 02 00 00 
{65} normal block at 0x0000027746715AE0, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027746715EF0, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027746715A90, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027746716850, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027746715E00, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027746715C70, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027746716580, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027746715D60, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000277467168A0, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027746716940, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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