Task 38685950

Name test_867-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9846_0
Workunit 31627403
Created 27 Oct 2026, 23:48:56 UTC
Sent 27 Oct 2026, 23:48:59 UTC
Report deadline 1 Nov 2026, 23:48:59 UTC
Received 28 Oct 2026, 0:14:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 24 min 43 sec
CPU time 21 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.06 MB
Peak swap size 13.04 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:50:12 (21564): wrapper (7.9.26016): starting
16:50:12 (21564): 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
16:50:13 (21564): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:50:13 (21564): 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\1\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\1\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
17:13:49 (21564): C:/Windows/system32/cmd.exe exited; CPU time 1268.421875
17:13:49 (21564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 19151539 bytes.
Dumping objects ->
{3835318} normal block at 0x0000024235874890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000024235874820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x0000024235874C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x0000024235874B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x00000242358747B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x00000242375D4600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x00000242375EE7B0, 102 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) : {3835229} normal block at 0x000002423586F090, 8 bytes long.
 Data: <  &#201;5B   > 00 00 C9 35 42 02 00 00 
{3834578} normal block at 0x00000242375EF200, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002423586EFA0, 8 bytes long.
 Data: <&#192;&#221;^7B   > C0 DD 5E 37 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024235871290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002423585F1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000024235876270, 16 bytes long.
 Data: <&#168;f&#135;5B           > A8 66 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024235875F00, 16 bytes long.
 Data: < f&#135;5B           > 80 66 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024235870600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000242358754B0, 16 bytes long.
 Data: <Xf&#135;5B           > 58 66 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024235875870, 16 bytes long.
 Data: <0f&#135;5B           > 30 66 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024235875820, 16 bytes long.
 Data: < f&#135;5B           > 08 66 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024235876180, 16 bytes long.
 Data: <&#224;e&#135;5B           > E0 65 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024235874DD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000024235875C30, 16 bytes long.
 Data: <&#200; &#134;5B           > C8 03 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000242358705A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000024235875780, 16 bytes long.
 Data: <&#160; &#134;5B           > A0 03 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000242358757D0, 16 bytes long.
 Data: <x &#134;5B           > 78 03 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024235875B90, 16 bytes long.
 Data: <P &#134;5B           > 50 03 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024235875730, 16 bytes long.
 Data: <( &#134;5B           > 28 03 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000242358756E0, 16 bytes long.
 Data: <  &#134;5B           > 00 03 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024235875EB0, 16 bytes long.
 Data: <&#216; &#134;5B           > D8 02 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024235870060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000024235875D20, 16 bytes long.
 Data: <&#176; &#134;5B           > B0 02 86 35 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000242358602B0, 320 bytes long.
 Data: < ]&#135;5B   ` &#135;5B   > 20 5D 87 35 42 02 00 00 60 00 87 35 42 02 00 00 
{276} normal block at 0x0000024235875460, 16 bytes long.
 Data: <&#192;e&#135;5B           > C0 65 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024235875FA0, 16 bytes long.
 Data: < e&#135;5B           > 98 65 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024235870480, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000024235875AF0, 16 bytes long.
 Data: <pe&#135;5B           > 70 65 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002423586FD60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000024235876130, 16 bytes long.
 Data: <&#184;d&#135;5B           > B8 64 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000242358755A0, 16 bytes long.
 Data: < d&#135;5B           > 90 64 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024235875640, 16 bytes long.
 Data: <hd&#135;5B           > 68 64 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000242358760E0, 16 bytes long.
 Data: <@d&#135;5B           > 40 64 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000242358759B0, 16 bytes long.
 Data: < d&#135;5B           > 18 64 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024235875A50, 16 bytes long.
 Data: <&#240;c&#135;5B           > F0 63 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024235876090, 16 bytes long.
 Data: <&#160;K&#135;5B           > A0 4B 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024235874BA0, 40 bytes long.
 Data: < `&#135;5B    F]7B   > 90 60 87 35 42 02 00 00 00 46 5D 37 42 02 00 00 
{262} normal block at 0x0000024235875FF0, 16 bytes long.
 Data: <&#208;c&#135;5B           > D0 63 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000242358755F0, 16 bytes long.
 Data: <&#168;c&#135;5B           > A8 63 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002423586FFA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000024235875AA0, 16 bytes long.
 Data: < c&#135;5B           > 80 63 87 35 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024235876380, 992 bytes long.
 Data: <&#160;Z&#135;5B   &#160;&#255;&#134;5B   > A0 5A 87 35 42 02 00 00 A0 FF 86 35 42 02 00 00 
{94} normal block at 0x0000024235870420, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002423586EAA0, 16 bytes long.
 Data: < &#230;&#133;5B           > 10 E6 85 35 42 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002423585E610, 40 bytes long.
 Data: <&#160;&#234;&#134;5B     &#135;5B   > A0 EA 86 35 42 02 00 00 20 04 87 35 42 02 00 00 
{71} normal block at 0x000002423586EDC0, 16 bytes long.
 Data: < &#234;&#235;&#207;&#247;           > 80 EA EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002423586EA50, 16 bytes long.
 Data: <@&#233;&#235;&#207;&#247;           > 40 E9 EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002423586EA00, 16 bytes long.
 Data: <&#248;W&#232;&#207;&#247;           > F8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002423586F180, 16 bytes long.
 Data: <&#216;W&#232;&#207;&#247;           > D8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002423586F040, 16 bytes long.
 Data: <P &#232;&#207;&#247;           > 50 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002423586EF00, 16 bytes long.
 Data: <0 &#232;&#207;&#247;           > 30 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002423586EB90, 16 bytes long.
 Data: <&#224; &#232;&#207;&#247;           > E0 02 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002423586F450, 16 bytes long.
 Data: <  &#232;&#207;&#247;           > 10 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002423586EC30, 16 bytes long.
 Data: <p &#232;&#207;&#247;           > 70 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002423586F5E0, 16 bytes long.
 Data: < &#192;&#230;&#207;&#247;           > 18 C0 E6 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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