Task 38686078

Name test_5-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9486_0
Workunit 31627525
Created 28 Oct 2026, 0:35:18 UTC
Sent 28 Oct 2026, 0:35:25 UTC
Report deadline 2 Nov 2026, 0:35:25 UTC
Received 28 Oct 2026, 1:09:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654960
Run time 32 min 40 sec
CPU time 30 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 806.02 MB
Peak swap size 13.03 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:37:45 (42624): wrapper (7.9.26016): starting
17:37:45 (42624): 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
17:37:46 (42624): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:37:46 (42624): 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\29\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\29\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
18:08:30 (42624): C:/Windows/system32/cmd.exe exited; CPU time 1827.562500
18:08:30 (42624): 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: 45601549 bytes.
Dumping objects ->
{3835451} normal block at 0x000001EAA7C66710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001EAA7C664E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x000001EAA7C667F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x000001EAA7C66A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x000001EAA7C665C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x000001EAA9945A60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000001EAA995EE20, 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) : {3835362} normal block at 0x000001EAA7C5DC90, 8 bytes long.
 Data: <   &#168;&#234;   > 00 00 05 A8 EA 01 00 00 
{3834640} normal block at 0x000001EAA995E7F0, 102 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 0x000001EAA7C5DD80, 8 bytes long.
 Data: <`A &#169;&#234;   > 60 41 9D A9 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001EAA7C60E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EAA7C55C80, 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 0x000001EAA7C65090, 16 bytes long.
 Data: <(c&#198;&#167;&#234;           > 28 63 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EAA7C65270, 16 bytes long.
 Data: < c&#198;&#167;&#234;           > 00 63 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EAA7C62220, 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 0x000001EAA7C655E0, 16 bytes long.
 Data: <&#216;b&#198;&#167;&#234;           > D8 62 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EAA7C659A0, 16 bytes long.
 Data: <&#176;b&#198;&#167;&#234;           > B0 62 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EAA7C654A0, 16 bytes long.
 Data: < b&#198;&#167;&#234;           > 88 62 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EAA7C656D0, 16 bytes long.
 Data: <`b&#198;&#167;&#234;           > 60 62 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EAA7C66860, 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 0x000001EAA7C65CC0, 16 bytes long.
 Data: <&#216;&#247;&#196;&#167;&#234;           > D8 F7 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EAA7C621C0, 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 0x000001EAA7C65220, 16 bytes long.
 Data: <&#176;&#247;&#196;&#167;&#234;           > B0 F7 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EAA7C65F40, 16 bytes long.
 Data: < &#247;&#196;&#167;&#234;           > 88 F7 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EAA7C65450, 16 bytes long.
 Data: <`&#247;&#196;&#167;&#234;           > 60 F7 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EAA7C65400, 16 bytes long.
 Data: <8&#247;&#196;&#167;&#234;           > 38 F7 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EAA7C65130, 16 bytes long.
 Data: < &#247;&#196;&#167;&#234;           > 10 F7 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EAA7C65EF0, 16 bytes long.
 Data: <&#232;&#246;&#196;&#167;&#234;           > E8 F6 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EAA7C61A40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001EAA7C651D0, 16 bytes long.
 Data: <&#192;&#246;&#196;&#167;&#234;           > C0 F6 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EAA7C4F6C0, 320 bytes long.
 Data: <&#208;Q&#198;&#167;&#234;   @ &#198;&#167;&#234;   > D0 51 C6 A7 EA 01 00 00 40 1A C6 A7 EA 01 00 00 
{268} normal block at 0x000001EAA7C653B0, 16 bytes long.
 Data: <@b&#198;&#167;&#234;           > 40 62 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EAA7C65770, 16 bytes long.
 Data: < b&#198;&#167;&#234;           > 18 62 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EAA7C617A0, 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 0x000001EAA7C65D10, 16 bytes long.
 Data: <&#240;a&#198;&#167;&#234;           > F0 61 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EAA7C62520, 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 0x000001EAA7C65C70, 16 bytes long.
 Data: <8a&#198;&#167;&#234;           > 38 61 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EAA7C65360, 16 bytes long.
 Data: < a&#198;&#167;&#234;           > 10 61 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EAA7C65720, 16 bytes long.
 Data: <&#232;`&#198;&#167;&#234;           > E8 60 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EAA7C65310, 16 bytes long.
 Data: <&#192;`&#198;&#167;&#234;           > C0 60 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EAA7C65950, 16 bytes long.
 Data: < `&#198;&#167;&#234;           > 98 60 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EAA7C65C20, 16 bytes long.
 Data: <p`&#198;&#167;&#234;           > 70 60 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EAA7C65D60, 16 bytes long.
 Data: <&#176;&#224;&#196;&#167;&#234;           > B0 E0 C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EAA7C4E0B0, 40 bytes long.
 Data: <`]&#198;&#167;&#234;   `Z&#148;&#169;&#234;   > 60 5D C6 A7 EA 01 00 00 60 5A 94 A9 EA 01 00 00 
{254} normal block at 0x000001EAA7C659F0, 16 bytes long.
 Data: <P`&#198;&#167;&#234;           > 50 60 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EAA7C65EA0, 16 bytes long.
 Data: <(`&#198;&#167;&#234;           > 28 60 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001EAA7C626A0, 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 0x000001EAA7C652C0, 16 bytes long.
 Data: < `&#198;&#167;&#234;           > 00 60 C6 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001EAA7C66000, 992 bytes long.
 Data: <&#192;R&#198;&#167;&#234;   &#160;&&#198;&#167;&#234;   > C0 52 C6 A7 EA 01 00 00 A0 26 C6 A7 EA 01 00 00 
{86} normal block at 0x000001EAA7C61860, 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 0x000001EAA7C5D150, 16 bytes long.
 Data: < &#239;&#196;&#167;&#234;           > 20 EF C4 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001EAA7C4EF20, 40 bytes long.
 Data: <P&#209;&#197;&#167;&#234;   ` &#198;&#167;&#234;   > 50 D1 C5 A7 EA 01 00 00 60 18 C6 A7 EA 01 00 00 
{63} normal block at 0x000001EAA7C5D060, 16 bytes long.
 Data: < &#234;&#165;y&#247;           > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EAA7C5DA10, 16 bytes long.
 Data: <@&#233;&#165;y&#247;           > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EAA7C5DDD0, 16 bytes long.
 Data: <&#248;W&#162;y&#247;           > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EAA7C5DD30, 16 bytes long.
 Data: <&#216;W&#162;y&#247;           > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EAA7C5DF10, 16 bytes long.
 Data: <P &#162;y&#247;           > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EAA7C5D790, 16 bytes long.
 Data: <0 &#162;y&#247;           > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EAA7C5D650, 16 bytes long.
 Data: <&#224; &#162;y&#247;           > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001EAA7C5DEC0, 16 bytes long.
 Data: <  &#162;y&#247;           > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001EAA7C5D9C0, 16 bytes long.
 Data: <p &#162;y&#247;           > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001EAA7C5DE20, 16 bytes long.
 Data: < &#192;&#160;y&#247;           > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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