Task 38663754

Name test_849-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND0613_0
Workunit 31606950
Created 24 Oct 2026, 22:36:36 UTC
Sent 24 Oct 2026, 22:36:42 UTC
Report deadline 29 Oct 2026, 22:36:42 UTC
Received 25 Oct 2026, 2:00:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 50 min 5 sec
CPU time 48 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.21 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:09:22 (68928): wrapper (7.9.26016): starting
21:09:22 (68928): 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
21:09:23 (68928): Library/usr/bin/tar.exe exited; CPU time 0.031250
21:09:23 (68928): 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
21:58:30 (68928): C:/Windows/system32/cmd.exe exited; CPU time 2900.390625
21:58:30 (68928): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 71238677 bytes.
Dumping objects ->
{3835220} normal block at 0x000001FD68551FF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001FD68552220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001FD68552610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x000001FD685525A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001FD68551F80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x000001FD6A34A960, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835134} normal block at 0x000001FD6A2AB0E0, 160 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) : {3835131} normal block at 0x000001FD6854C5C0, 8 bytes long.
 Data: <  Oh&#253;   > 00 00 4F 68 FD 01 00 00 
{3834534} normal block at 0x000001FD6A2AB620, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001FD6854C980, 8 bytes long.
 Data: <@y>j&#253;   > 40 79 3E 6A FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001FD6854E360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FD685455D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001FD685536D0, 16 bytes long.
 Data: <x>Uh&#253;           > 78 3E 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FD685530E0, 16 bytes long.
 Data: <P>Uh&#253;           > 50 3E 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FD6854CED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001FD68553720, 16 bytes long.
 Data: <(>Uh&#253;           > 28 3E 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FD68553130, 16 bytes long.
 Data: < >Uh&#253;           > 00 3E 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD685539A0, 16 bytes long.
 Data: <&#216;=Uh&#253;           > D8 3D 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD685537C0, 16 bytes long.
 Data: <&#176;=Uh&#253;           > B0 3D 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FD68552300, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001FD685539F0, 16 bytes long.
 Data: <8&#179;Sh&#253;           > 38 B3 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FD6854DA70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001FD68552EB0, 16 bytes long.
 Data: < &#179;Sh&#253;           > 10 B3 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FD685531D0, 16 bytes long.
 Data: <&#232;&#178;Sh&#253;           > E8 B2 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FD68553950, 16 bytes long.
 Data: <&#192;&#178;Sh&#253;           > C0 B2 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FD68553540, 16 bytes long.
 Data: < &#178;Sh&#253;           > 98 B2 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FD68552E60, 16 bytes long.
 Data: <p&#178;Sh&#253;           > 70 B2 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FD68553A90, 16 bytes long.
 Data: <H&#178;Sh&#253;           > 48 B2 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD6854D8F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001FD68552DC0, 16 bytes long.
 Data: < &#178;Sh&#253;           > 20 B2 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD6853B220, 320 bytes long.
 Data: <&#192;-Uh&#253;   &#240;&#216;Th&#253;   > C0 2D 55 68 FD 01 00 00 F0 D8 54 68 FD 01 00 00 
{270} normal block at 0x000001FD68553AE0, 16 bytes long.
 Data: < =Uh&#253;           > 90 3D 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD685534F0, 16 bytes long.
 Data: <h=Uh&#253;           > 68 3D 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FD6854CE70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001FD68552CD0, 16 bytes long.
 Data: <@=Uh&#253;           > 40 3D 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FD6854D5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001FD68553090, 16 bytes long.
 Data: < <Uh&#253;           > 88 3C 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FD68553900, 16 bytes long.
 Data: <`<Uh&#253;           > 60 3C 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FD685538B0, 16 bytes long.
 Data: <8<Uh&#253;           > 38 3C 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FD68552B90, 16 bytes long.
 Data: < <Uh&#253;           > 10 3C 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FD68553180, 16 bytes long.
 Data: <&#232;;Uh&#253;           > E8 3B 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FD68553860, 16 bytes long.
 Data: <&#192;;Uh&#253;           > C0 3B 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FD68553770, 16 bytes long.
 Data: <p#Uh&#253;           > 70 23 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FD68552370, 40 bytes long.
 Data: <p7Uh&#253;   `&#169;4j&#253;   > 70 37 55 68 FD 01 00 00 60 A9 34 6A FD 01 00 00 
{256} normal block at 0x000001FD68553310, 16 bytes long.
 Data: <&#160;;Uh&#253;           > A0 3B 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FD685532C0, 16 bytes long.
 Data: <x;Uh&#253;           > 78 3B 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FD6854D410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001FD68553270, 16 bytes long.
 Data: <P;Uh&#253;           > 50 3B 55 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001FD68553B50, 992 bytes long.
 Data: <p2Uh&#253;    &#212;Th&#253;   > 70 32 55 68 FD 01 00 00 10 D4 54 68 FD 01 00 00 
{88} normal block at 0x000001FD6854D3B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001FD6854BEE0, 16 bytes long.
 Data: <&#160;&#196;Sh&#253;           > A0 C4 53 68 FD 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001FD6853C4A0, 40 bytes long.
 Data: <&#224;&#190;Th&#253;   &#176;&#211;Th&#253;   > E0 BE 54 68 FD 01 00 00 B0 D3 54 68 FD 01 00 00 
{65} normal block at 0x000001FD6854C8E0, 16 bytes long.
 Data: < &#234;D&#196;&#247;           > 80 EA 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FD6854C890, 16 bytes long.
 Data: <@&#233;D&#196;&#247;           > 40 E9 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FD6854C840, 16 bytes long.
 Data: <&#248;WA&#196;&#247;           > F8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FD6854C4D0, 16 bytes long.
 Data: <&#216;WA&#196;&#247;           > D8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FD6854C2F0, 16 bytes long.
 Data: <P A&#196;&#247;           > 50 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FD6854C7F0, 16 bytes long.
 Data: <0 A&#196;&#247;           > 30 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FD6854C1B0, 16 bytes long.
 Data: <&#224; A&#196;&#247;           > E0 02 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FD6854C660, 16 bytes long.
 Data: <  A&#196;&#247;           > 10 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FD6854C7A0, 16 bytes long.
 Data: <p A&#196;&#247;           > 70 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FD6854BF80, 16 bytes long.
 Data: < &#192;?&#196;&#247;           > 18 C0 3F C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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