Task 38680037

Name test_881-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0003_0
Workunit 31621783
Created 26 Oct 2026, 22:35:33 UTC
Sent 26 Oct 2026, 22:35:38 UTC
Report deadline 31 Oct 2026, 22:35:38 UTC
Received 26 Oct 2026, 23:27:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 31 sec
CPU time 14 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.06 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:11:48 (3520): wrapper (7.9.26016): starting
19:11:48 (3520): 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
19:11:49 (3520): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:11:49 (3520): 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\2\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\2\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
19:26:41 (3520): C:/Windows/system32/cmd.exe exited; CPU time 891.718750
19:26:41 (3520): 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: 21765565 bytes.
Dumping objects ->
{3835501} normal block at 0x0000020F92511EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000020F92512000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000020F92511E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x0000020F92512460, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000020F92512070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x0000020F941EAE00, 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) : {3835413} normal block at 0x0000020F9250C390, 8 bytes long.
 Data: <  G&#146;    > 00 00 47 92 0F 02 00 00 
{3833939} normal block at 0x0000020F9250C7F0, 8 bytes long.
 Data: <p&#225; &#148;    > 70 E1 14 94 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000020F9250B7B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F924FED20, 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 0x0000020F92513380, 16 bytes long.
 Data: <()Q&#146;            > 28 29 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F92512D40, 16 bytes long.
 Data: < )Q&#146;            > 00 29 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F925110D0, 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 0x0000020F925132E0, 16 bytes long.
 Data: <&#216;(Q&#146;            > D8 28 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F925131F0, 16 bytes long.
 Data: <&#176;(Q&#146;            > B0 28 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F925139C0, 16 bytes long.
 Data: < (Q&#146;            > 88 28 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F92512F70, 16 bytes long.
 Data: <`(Q&#146;            > 60 28 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F92511F20, 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 0x0000020F92513970, 16 bytes long.
 Data: <(&#178;O&#146;            > 28 B2 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F92511A30, 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 0x0000020F925135B0, 16 bytes long.
 Data: < &#178;O&#146;            > 00 B2 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F92513920, 16 bytes long.
 Data: <&#216;&#177;O&#146;            > D8 B1 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020F92512CF0, 16 bytes long.
 Data: <&#176;&#177;O&#146;            > B0 B1 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F925136A0, 16 bytes long.
 Data: < &#177;O&#146;            > 88 B1 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020F92513650, 16 bytes long.
 Data: <`&#177;O&#146;            > 60 B1 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F92513420, 16 bytes long.
 Data: <8&#177;O&#146;            > 38 B1 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020F92511C10, 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 0x0000020F92513010, 16 bytes long.
 Data: < &#177;O&#146;            > 10 B1 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F924FB110, 320 bytes long.
 Data: < 0Q&#146;      Q&#146;    > 10 30 51 92 0F 02 00 00 10 1C 51 92 0F 02 00 00 
{265} normal block at 0x0000020F92512BB0, 16 bytes long.
 Data: <@(Q&#146;            > 40 28 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F925133D0, 16 bytes long.
 Data: < (Q&#146;            > 18 28 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F92511190, 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 0x0000020F92512CA0, 16 bytes long.
 Data: <&#240;'Q&#146;            > F0 27 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F92511BB0, 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 0x0000020F92513240, 16 bytes long.
 Data: <8'Q&#146;            > 38 27 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020F925131A0, 16 bytes long.
 Data: < 'Q&#146;            > 10 27 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020F925136F0, 16 bytes long.
 Data: <&#232;&Q&#146;            > E8 26 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020F92512F20, 16 bytes long.
 Data: <&#192;&Q&#146;            > C0 26 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020F9250C0C0, 16 bytes long.
 Data: < &Q&#146;            > 98 26 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020F9250C070, 16 bytes long.
 Data: <p&Q&#146;            > 70 26 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020F9250C610, 16 bytes long.
 Data: <&#224; Q&#146;            > E0 20 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020F925120E0, 40 bytes long.
 Data: < &#198;P&#146;     &#174; &#148;    > 10 C6 50 92 0F 02 00 00 00 AE 1E 94 0F 02 00 00 
{251} normal block at 0x0000020F9250C3E0, 16 bytes long.
 Data: <P&Q&#146;            > 50 26 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020F9250C840, 16 bytes long.
 Data: <(&Q&#146;            > 28 26 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000020F92511430, 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 0x0000020F9250BE90, 16 bytes long.
 Data: < &Q&#146;            > 00 26 51 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000020F92512600, 992 bytes long.
 Data: < &#190;P&#146;    0 Q&#146;    > 90 BE 50 92 0F 02 00 00 30 14 51 92 0F 02 00 00 
{83} normal block at 0x0000020F92511730, 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 0x0000020F9250C2F0, 16 bytes long.
 Data: < &#190;O&#146;            > 10 BE 4F 92 0F 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000020F924FBE10, 40 bytes long.
 Data: <&#240;&#194;P&#146;    0 Q&#146;    > F0 C2 50 92 0F 02 00 00 30 17 51 92 0F 02 00 00 
{60} normal block at 0x0000020F9250C7A0, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020F9250CC00, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020F9250C5C0, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020F9250BF80, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020F9250BDF0, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020F9250C980, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020F9250C250, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000020F9250BE40, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000020F9250C4D0, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000020F9250C8E0, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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