Task 38687971

Name test_141-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3776_1
Workunit 31629225
Created 28 Oct 2026, 10:48:55 UTC
Sent 28 Oct 2026, 10:48:57 UTC
Report deadline 2 Nov 2026, 10:48:57 UTC
Received 28 Oct 2026, 11:49:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651346
Run time 21 min 21 sec
CPU time 19 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.77 MB
Peak swap size 12.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:25:45 (15704): wrapper (7.9.26016): starting
06:25:45 (15704): 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
06:25:46 (15704): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:25:46 (15704): 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
06:46:32 (15704): C:/Windows/system32/cmd.exe exited; CPU time 1161.140625
06:46:32 (15704): 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: 15313899 bytes.
Dumping objects ->
{3835567} normal block at 0x000002CDC8333DC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000002CDC8333B20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x000002CDC8333F10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x000002CDC83341B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x000002CDC8333CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x000002CDCA09A0A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000002CDC831E050, 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) : {3835478} normal block at 0x000002CDC832DFC0, 8 bytes long.
 Data: <  &#233;&#201;&#205;   > 00 00 E9 C9 CD 02 00 00 
{3834701} normal block at 0x000002CDC831DF20, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000002CDC832E0B0, 8 bytes long.
 Data: < &#229;&#250;&#201;&#205;   > 00 E5 FA C9 CD 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002CDC832FC70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CDC831E750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002CDC83350E0, 16 bytes long.
 Data: <&#184;U3&#200;&#205;           > B8 55 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CDC8335220, 16 bytes long.
 Data: < U3&#200;&#205;           > 90 55 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002CDC832F660, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002CDC8334910, 16 bytes long.
 Data: <hU3&#200;&#205;           > 68 55 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CDC8334F50, 16 bytes long.
 Data: <@U3&#200;&#205;           > 40 55 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002CDC8334370, 16 bytes long.
 Data: < U3&#200;&#205;           > 18 55 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CDC8334D70, 16 bytes long.
 Data: <&#240;T3&#200;&#205;           > F0 54 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CDC831FC60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002CDC8334780, 16 bytes long.
 Data: < &#218;2&#200;&#205;           > 08 DA 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CDC832FA20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002CDC8334550, 16 bytes long.
 Data: <&#224;&#217;2&#200;&#205;           > E0 D9 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002CDC8334BE0, 16 bytes long.
 Data: <&#184;&#217;2&#200;&#205;           > B8 D9 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CDC8335090, 16 bytes long.
 Data: < &#217;2&#200;&#205;           > 90 D9 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CDC8334C80, 16 bytes long.
 Data: <h&#217;2&#200;&#205;           > 68 D9 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CDC8334F00, 16 bytes long.
 Data: <@&#217;2&#200;&#205;           > 40 D9 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CDC8334B40, 16 bytes long.
 Data: < &#217;2&#200;&#205;           > 18 D9 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CDC832F9C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002CDC83343C0, 16 bytes long.
 Data: <&#240;&#216;2&#200;&#205;           > F0 D8 32 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CDC832D8F0, 320 bytes long.
 Data: <&#192;C3&#200;&#205;   &#192;&#249;2&#200;&#205;   > C0 43 33 C8 CD 02 00 00 C0 F9 32 C8 CD 02 00 00 
{272} normal block at 0x000002CDC8334E10, 16 bytes long.
 Data: <&#208;T3&#200;&#205;           > D0 54 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CDC8334D20, 16 bytes long.
 Data: <&#168;T3&#200;&#205;           > A8 54 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CDC832F2A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002CDC8334DC0, 16 bytes long.
 Data: < T3&#200;&#205;           > 80 54 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CDC832F900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002CDC8334B90, 16 bytes long.
 Data: <&#200;S3&#200;&#205;           > C8 53 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CDC8334500, 16 bytes long.
 Data: <&#160;S3&#200;&#205;           > A0 53 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CDC8334320, 16 bytes long.
 Data: <xS3&#200;&#205;           > 78 53 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CDC8335040, 16 bytes long.
 Data: <PS3&#200;&#205;           > 50 53 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002CDC8334FF0, 16 bytes long.
 Data: <(S3&#200;&#205;           > 28 53 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CDC8334E60, 16 bytes long.
 Data: < S3&#200;&#205;           > 00 53 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002CDC8334AF0, 16 bytes long.
 Data: < &#209;1&#200;&#205;           > 00 D1 31 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CDC831D100, 40 bytes long.
 Data: <&#240;J3&#200;&#205;   &#160;&#160;	&#202;&#205;   > F0 4A 33 C8 CD 02 00 00 A0 A0 09 CA CD 02 00 00 
{258} normal block at 0x000002CDC83351D0, 16 bytes long.
 Data: <&#224;R3&#200;&#205;           > E0 52 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002CDC8334CD0, 16 bytes long.
 Data: <&#184;R3&#200;&#205;           > B8 52 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002CDC832F3C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002CDC8334820, 16 bytes long.
 Data: < R3&#200;&#205;           > 90 52 33 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002CDC8335290, 992 bytes long.
 Data: < H3&#200;&#205;   &#192;&#243;2&#200;&#205;   > 20 48 33 C8 CD 02 00 00 C0 F3 32 C8 CD 02 00 00 
{90} normal block at 0x000002CDC832ED00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002CDC832E2E0, 16 bytes long.
 Data: < &#197;1&#200;&#205;           > 10 C5 31 C8 CD 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002CDC831C510, 40 bytes long.
 Data: <&#224;&#226;2&#200;&#205;    &#237;2&#200;&#205;   > E0 E2 32 C8 CD 02 00 00 00 ED 32 C8 CD 02 00 00 
{67} normal block at 0x000002CDC832DC50, 16 bytes long.
 Data: < &#234;1&#173;&#246;           > 80 EA 31 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CDC832E830, 16 bytes long.
 Data: <@&#233;1&#173;&#246;           > 40 E9 31 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002CDC832E6A0, 16 bytes long.
 Data: <&#248;W.&#173;&#246;           > F8 57 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CDC832E1F0, 16 bytes long.
 Data: <&#216;W.&#173;&#246;           > D8 57 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CDC832E740, 16 bytes long.
 Data: <P .&#173;&#246;           > 50 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CDC832DE30, 16 bytes long.
 Data: <0 .&#173;&#246;           > 30 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CDC832E880, 16 bytes long.
 Data: <&#224; .&#173;&#246;           > E0 02 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CDC832E060, 16 bytes long.
 Data: <  .&#173;&#246;           > 10 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002CDC832DBB0, 16 bytes long.
 Data: <p .&#173;&#246;           > 70 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002CDC832DD90, 16 bytes long.
 Data: < &#192;,&#173;&#246;           > 18 C0 2C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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