Task 38661326

Name test_780-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND0536_0
Workunit 31604750
Created 24 Oct 2026, 15:35:30 UTC
Sent 24 Oct 2026, 15:43:40 UTC
Report deadline 29 Oct 2026, 15:43:40 UTC
Received 24 Oct 2026, 16:12:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 22 min
CPU time 20 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.12 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:51:03 (34604): wrapper (7.9.26016): starting
18:51:03 (34604): 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
18:51:05 (34604): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:51:05 (34604): 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\8\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\8\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
19:12:14 (34604): C:/Windows/system32/cmd.exe exited; CPU time 1231.687500
19:12:14 (34604): 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: 27290173 bytes.
Dumping objects ->
{3835275} normal block at 0x00000149A40DD040, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x00000149A4084E90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x00000149A4085590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x00000149A40851A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000149A4085210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x00000149A5F05380, 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) : {3835187} normal block at 0x00000149A407ECB0, 8 bytes long.
 Data: <  n&#164;I   > 00 00 6E A4 49 01 00 00 
{3833939} normal block at 0x00000149A407F070, 8 bytes long.
 Data: <0&#227; &#164;I   > 30 E3 15 A4 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x00000149A407DE20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000149A4076A80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x00000149A4086160, 16 bytes long.
 Data: < ^ &#164;I           > 88 5E 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000149A40860C0, 16 bytes long.
 Data: <`^ &#164;I           > 60 5E 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000149A4084320, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x00000149A4086610, 16 bytes long.
 Data: <8^ &#164;I           > 38 5E 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000149A4086BB0, 16 bytes long.
 Data: < ^ &#164;I           > 10 5E 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000149A4086070, 16 bytes long.
 Data: <&#232;] &#164;I           > E8 5D 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000149A40869D0, 16 bytes long.
 Data: <&#192;] &#164;I           > C0 5D 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000149A4084F00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x00000149A4086340, 16 bytes long.
 Data: <hW &#164;I           > 68 57 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000149A4084740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x00000149A4086980, 16 bytes long.
 Data: <@W &#164;I           > 40 57 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000149A4086020, 16 bytes long.
 Data: < W &#164;I           > 18 57 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000149A4085FD0, 16 bytes long.
 Data: <&#240;V &#164;I           > F0 56 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000149A40863E0, 16 bytes long.
 Data: <&#200;V &#164;I           > C8 56 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149A4086D40, 16 bytes long.
 Data: <&#160;V &#164;I           > A0 56 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000149A4086F20, 16 bytes long.
 Data: <xV &#164;I           > 78 56 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000149A4083E40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x00000149A4086890, 16 bytes long.
 Data: <PV &#164;I           > 50 56 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000149A4085650, 320 bytes long.
 Data: < h &#164;I   @> &#164;I   > 90 68 08 A4 49 01 00 00 40 3E 08 A4 49 01 00 00 
{265} normal block at 0x00000149A4086200, 16 bytes long.
 Data: <&#160;] &#164;I           > A0 5D 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000149A4086930, 16 bytes long.
 Data: <x] &#164;I           > 78 5D 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000149A4083DE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x00000149A4086E30, 16 bytes long.
 Data: <P] &#164;I           > 50 5D 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000149A40846E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x00000149A4086ED0, 16 bytes long.
 Data: < \ &#164;I           > 98 5C 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000149A4086110, 16 bytes long.
 Data: <p\ &#164;I           > 70 5C 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000149A4086AC0, 16 bytes long.
 Data: <H\ &#164;I           > 48 5C 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000149A4086840, 16 bytes long.
 Data: < \ &#164;I           > 20 5C 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000149A4086E80, 16 bytes long.
 Data: <&#248;[ &#164;I           > F8 5B 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000149A407F660, 16 bytes long.
 Data: <&#208;[ &#164;I           > D0 5B 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000149A407F7A0, 16 bytes long.
 Data: <`S &#164;I           > 60 53 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000149A4085360, 40 bytes long.
 Data: <&#160;&#247; &#164;I    S&#240;&#165;I   > A0 F7 07 A4 49 01 00 00 80 53 F0 A5 49 01 00 00 
{251} normal block at 0x00000149A407F9D0, 16 bytes long.
 Data: <&#176;[ &#164;I           > B0 5B 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000149A407EB70, 16 bytes long.
 Data: < [ &#164;I           > 88 5B 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000149A4083B40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x00000149A407F250, 16 bytes long.
 Data: <`[ &#164;I           > 60 5B 08 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x00000149A4085B60, 992 bytes long.
 Data: <P&#242; &#164;I   @; &#164;I   > 50 F2 07 A4 49 01 00 00 40 3B 08 A4 49 01 00 00 
{83} normal block at 0x00000149A4070880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x00000149A407F3E0, 16 bytes long.
 Data: < &#234; &#164;I           > 00 EA 07 A4 49 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000149A407EA00, 40 bytes long.
 Data: <&#224;&#243; &#164;I      &#164;I   > E0 F3 07 A4 49 01 00 00 80 08 07 A4 49 01 00 00 
{60} normal block at 0x00000149A407EC10, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000149A407EBC0, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000149A407F480, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000149A407F610, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000149A407EF30, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000149A407FA20, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000149A407F430, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000149A407F340, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000149A407EDF0, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x00000149A407F5C0, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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