Task 38687633

Name test_751-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9384_0
Workunit 31629017
Created 28 Oct 2026, 8:52:01 UTC
Sent 28 Oct 2026, 8:52:08 UTC
Report deadline 2 Nov 2026, 8:52:08 UTC
Received 28 Oct 2026, 11:25:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 6 min 33 sec
CPU time 55 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.44 MB
Peak swap size 2.23 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:21:04 (9164): wrapper (7.9.26016): starting
04:21:04 (9164): 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
04:21:07 (9164): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:21:07 (9164): 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\0\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\0\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
05:24:29 (9164): C:/Windows/system32/cmd.exe exited; CPU time 3335.421875
05:24:29 (9164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 41135523 bytes.
Dumping objects ->
{3835251} normal block at 0x00000203140D66D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000203140D63C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000203140D6C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x00000203140D6890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000203140D6A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000002031407AEA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000020312591F70, 235 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) : {3835162} normal block at 0x00000203125867B0, 8 bytes long.
 Data: <  Q     > 00 00 51 12 03 02 00 00 
{3834555} normal block at 0x00000203125927C0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000020312586170, 8 bytes long.
 Data: <&#208;y      > D0 79 0D 14 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002031258FB50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002031257A560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000203125918B0, 16 bytes long.
 Data: < 1Y             > 98 31 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020312591270, 16 bytes long.
 Data: <p1Y             > 70 31 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002031258C5C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000020312591180, 16 bytes long.
 Data: <H1Y             > 48 31 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020312591400, 16 bytes long.
 Data: < 1Y             > 20 31 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020312591220, 16 bytes long.
 Data: <&#248;0Y             > F8 30 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203125914F0, 16 bytes long.
 Data: <&#208;0Y             > D0 30 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002031258AC00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000020312591860, 16 bytes long.
 Data: <&#200;&#189;X             > C8 BD 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002031258CDA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000020312591130, 16 bytes long.
 Data: <&#160;&#189;X             > A0 BD 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020312590BE0, 16 bytes long.
 Data: <x&#189;X             > 78 BD 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000203125912C0, 16 bytes long.
 Data: <P&#189;X             > 50 BD 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020312591450, 16 bytes long.
 Data: <(&#189;X             > 28 BD 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000203125910E0, 16 bytes long.
 Data: < &#189;X             > 00 BD 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000203125914A0, 16 bytes long.
 Data: <&#216;&#188;X             > D8 BC 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002031258CE60, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x0000020312591040, 16 bytes long.
 Data: <&#176;&#188;X             > B0 BC 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002031258BCB0, 320 bytes long.
 Data: <@ Y     `&#206;X     > 40 10 59 12 03 02 00 00 60 CE 58 12 03 02 00 00 
{268} normal block at 0x00000203125915E0, 16 bytes long.
 Data: <&#176;0Y             > B0 30 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020312591310, 16 bytes long.
 Data: < 0Y             > 88 30 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002031258CC80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000203125916D0, 16 bytes long.
 Data: <`0Y             > 60 30 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002031258C500, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000020312590FF0, 16 bytes long.
 Data: <&#168;/Y             > A8 2F 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020312590FA0, 16 bytes long.
 Data: < /Y             > 80 2F 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000203125913B0, 16 bytes long.
 Data: <X/Y             > 58 2F 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020312590F50, 16 bytes long.
 Data: <0/Y             > 30 2F 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020312590AF0, 16 bytes long.
 Data: < /Y             > 08 2F 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020312590F00, 16 bytes long.
 Data: <&#224;.Y             > E0 2E 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000203125911D0, 16 bytes long.
 Data: < &#178;X             > 20 B2 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002031258B220, 40 bytes long.
 Data: <&#208; Y     &#160;&#174;      > D0 11 59 12 03 02 00 00 A0 AE 07 14 03 02 00 00 
{254} normal block at 0x00000203125919A0, 16 bytes long.
 Data: <&#192;.Y             > C0 2E 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020312591810, 16 bytes long.
 Data: < .Y             > 98 2E 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002031258C560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000020312591090, 16 bytes long.
 Data: <p.Y             > 70 2E 59 12 03 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020312592E70, 992 bytes long.
 Data: <  Y     `&#197;X     > 90 10 59 12 03 02 00 00 60 C5 58 12 03 02 00 00 
{86} normal block at 0x000002031258CD40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000020312585E00, 16 bytes long.
 Data: <&#240;&#175;X             > F0 AF 58 12 03 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002031258AFF0, 40 bytes long.
 Data: < ^X     @&#205;X     > 00 5E 58 12 03 02 00 00 40 CD 58 12 03 02 00 00 
{63} normal block at 0x00000203125863A0, 16 bytes long.
 Data: < &#234;&#163;&#247;&#247;           > 80 EA A3 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000203125868A0, 16 bytes long.
 Data: <@&#233;&#163;&#247;&#247;           > 40 E9 A3 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020312586C10, 16 bytes long.
 Data: <&#248;W&#160;&#247;&#247;           > F8 57 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020312586120, 16 bytes long.
 Data: <&#216;W&#160;&#247;&#247;           > D8 57 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000203125860D0, 16 bytes long.
 Data: <P &#160;&#247;&#247;           > 50 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020312586620, 16 bytes long.
 Data: <0 &#160;&#247;&#247;           > 30 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020312586BC0, 16 bytes long.
 Data: <&#224; &#160;&#247;&#247;           > E0 02 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020312586D00, 16 bytes long.
 Data: <  &#160;&#247;&#247;           > 10 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020312586B20, 16 bytes long.
 Data: <p &#160;&#247;&#247;           > 70 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020312586350, 16 bytes long.
 Data: < &#192;&#158;&#247;&#247;           > 18 C0 9E F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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