Task 38685375

Name test_409-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8877_0
Workunit 31626845
Created 27 Oct 2026, 20:46:15 UTC
Sent 27 Oct 2026, 20:46:17 UTC
Report deadline 1 Nov 2026, 20:46:17 UTC
Received 27 Oct 2026, 22:30:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 50 min 31 sec
CPU time 39 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 646.00 MB
Peak swap size 9.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:26:46 (4260): wrapper (7.9.26016): starting
23:26:46 (4260): 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
23:26:49 (4260): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:26:49 (4260): 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\24\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\24\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
00:15:16 (4260): C:/Windows/system32/cmd.exe exited; CPU time 2374.406250
00:15:16 (4260): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 28644937 bytes.
Dumping objects ->
{3835240} normal block at 0x000002E12793AA70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002E12793B410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002E12793B100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000002E12793B250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002E125C8C0E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002E127983D20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002E1279E1170, 180 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) : {3835151} normal block at 0x000002E125C874D0, 8 bytes long.
 Data: <  &#194;%&#225;   > 00 00 C2 25 E1 02 00 00 
{3834544} normal block at 0x000002E1279E1BC0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000002E125C87F20, 8 bytes long.
 Data: <&#192;&#169;&#199;%&#225;   > C0 A9 C7 25 E1 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002E125C90DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002E125C7DAA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002E125C92A60, 16 bytes long.
 Data: <XD&#201;%&#225;           > 58 44 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E125C91E80, 16 bytes long.
 Data: <0D&#201;%&#225;           > 30 44 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E125C8DBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002E125C92330, 16 bytes long.
 Data: < D&#201;%&#225;           > 08 44 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E125C922E0, 16 bytes long.
 Data: <&#224;C&#201;%&#225;           > E0 43 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E125C929C0, 16 bytes long.
 Data: <&#184;C&#201;%&#225;           > B8 43 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E125C92970, 16 bytes long.
 Data: <&#144;C&#201;%&#225;           > 90 43 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002E125C8C1C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002E125C92830, 16 bytes long.
 Data: <&#200;Z&#199;%&#225;           > C8 5A C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002E125C8D430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002E125C92B00, 16 bytes long.
 Data: <&#160;Z&#199;%&#225;           > A0 5A C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002E125C927E0, 16 bytes long.
 Data: <xZ&#199;%&#225;           > 78 5A C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E125C91D40, 16 bytes long.
 Data: <PZ&#199;%&#225;           > 50 5A C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002E125C92920, 16 bytes long.
 Data: <(Z&#199;%&#225;           > 28 5A C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E125C92560, 16 bytes long.
 Data: < Z&#199;%&#225;           > 00 5A C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E125C921F0, 16 bytes long.
 Data: <&#216;Y&#199;%&#225;           > D8 59 C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E125C8DE50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002E125C91E30, 16 bytes long.
 Data: <&#176;Y&#199;%&#225;           > B0 59 C7 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E125C759B0, 320 bytes long.
 Data: <0 &#201;%&#225;   P&#222;&#200;%&#225;   > 30 1E C9 25 E1 02 00 00 50 DE C8 25 E1 02 00 00 
{266} normal block at 0x000002E125C921A0, 16 bytes long.
 Data: <pC&#201;%&#225;           > 70 43 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E125C92290, 16 bytes long.
 Data: <HC&#201;%&#225;           > 48 43 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E125C8DAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002E125C92510, 16 bytes long.
 Data: < C&#201;%&#225;           > 20 43 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E125C8D490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002E125C928D0, 16 bytes long.
 Data: <hB&#201;%&#225;           > 68 42 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002E125C92420, 16 bytes long.
 Data: <@B&#201;%&#225;           > 40 42 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E125C91ED0, 16 bytes long.
 Data: < B&#201;%&#225;           > 18 42 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002E125C92650, 16 bytes long.
 Data: <&#240;A&#201;%&#225;           > F0 41 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002E125C91D90, 16 bytes long.
 Data: <&#200;A&#201;%&#225;           > C8 41 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002E125C92600, 16 bytes long.
 Data: <&#160;A&#201;%&#225;           > A0 41 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002E125C924C0, 16 bytes long.
 Data: <&#176;&#190;&#200;%&#225;           > B0 BE C8 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002E125C8BEB0, 40 bytes long.
 Data: <&#192;$&#201;%&#225;    = '&#225;   > C0 24 C9 25 E1 02 00 00 20 3D 98 27 E1 02 00 00 
{252} normal block at 0x000002E125C92A10, 16 bytes long.
 Data: <&#128;A&#201;%&#225;           > 80 41 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002E125C92740, 16 bytes long.
 Data: <XA&#201;%&#225;           > 58 41 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002E125C8D1F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002E125C92AB0, 16 bytes long.
 Data: <0A&#201;%&#225;           > 30 41 C9 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002E125C94130, 992 bytes long.
 Data: <&#176;*&#201;%&#225;   &#240;&#209;&#200;%&#225;   > B0 2A C9 25 E1 02 00 00 F0 D1 C8 25 E1 02 00 00 
{84} normal block at 0x000002E125C8D9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002E125C87E80, 16 bytes long.
 Data: <P&#193;&#200;%&#225;           > 50 C1 C8 25 E1 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002E125C8C150, 40 bytes long.
 Data: <&#128;~&#200;%&#225;   &#208;&#217;&#200;%&#225;   > 80 7E C8 25 E1 02 00 00 D0 D9 C8 25 E1 02 00 00 
{61} normal block at 0x000002E125C88100, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002E125C87ED0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002E125C87930, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002E125C87E30, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002E125C87F70, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002E125C877F0, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002E125C87DE0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002E125C87430, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002E125C877A0, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002E125C87890, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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