Task 38675147

Name test_63-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3110_0
Workunit 31617144
Created 26 Oct 2026, 7:24:57 UTC
Sent 26 Oct 2026, 7:24:58 UTC
Report deadline 31 Oct 2026, 7:24:58 UTC
Received 26 Oct 2026, 8:25:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 34 min 52 sec
CPU time 33 min 12 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 746.49 MB
Peak swap size 13.41 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:46:42 (22068): wrapper (7.9.26016): starting
14:46:42 (22068): 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
14:46:43 (22068): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:46:43 (22068): 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\20\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\20\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
15:20:32 (22068): C:/Windows/system32/cmd.exe exited; CPU time 1992.765625
15:20:32 (22068): 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: 30990073 bytes.
Dumping objects ->
{3835242} normal block at 0x000001422150E340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001422150E1F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000001422150E030, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835209} normal block at 0x000001422150E420, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001421F6950B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835167} normal block at 0x0000014221558EB0, 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) : {3835154} normal block at 0x000001421F68BF90, 8 bytes long.
 Data: <  &#197; B   > 00 00 C5 1F 42 01 00 00 
{3833985} normal block at 0x000001421F68B270, 8 bytes long.
 Data: < T^!B   > 20 54 5E 21 42 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001421F6927B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001421F687C60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000001421F6976C0, 16 bytes long.
 Data: <&#216;|i B           > D8 7C 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001421F6975D0, 16 bytes long.
 Data: <&#176;|i B           > B0 7C 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001421F6900A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000001421F697670, 16 bytes long.
 Data: < |i B           > 88 7C 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001421F696AE0, 16 bytes long.
 Data: <`|i B           > 60 7C 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001421F697120, 16 bytes long.
 Data: <8|i B           > 38 7C 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001421F696DB0, 16 bytes long.
 Data: < |i B           > 10 7C 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001421F695120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000001421F697030, 16 bytes long.
 Data: <&#216;&#254;g B           > D8 FE 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001421F68F440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000001421F6970D0, 16 bytes long.
 Data: <&#176;&#254;g B           > B0 FE 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001421F696EA0, 16 bytes long.
 Data: < &#254;g B           > 88 FE 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001421F696FE0, 16 bytes long.
 Data: <`&#254;g B           > 60 FE 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001421F697170, 16 bytes long.
 Data: <8&#254;g B           > 38 FE 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001421F697940, 16 bytes long.
 Data: < &#254;g B           > 10 FE 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001421F697580, 16 bytes long.
 Data: <&#232;&#253;g B           > E8 FD 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001421F68F740, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{290} normal block at 0x000001421F697530, 16 bytes long.
 Data: <&#192;&#253;g B           > C0 FD 67 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001421F67FDC0, 320 bytes long.
 Data: <0ui B   @&#247;h B   > 30 75 69 1F 42 01 00 00 40 F7 68 1F 42 01 00 00 
{288} normal block at 0x000001421F696BD0, 16 bytes long.
 Data: <&#240;{i B           > F0 7B 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001421F696F90, 16 bytes long.
 Data: <&#200;{i B           > C8 7B 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001421F68FDA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000001421F6973F0, 16 bytes long.
 Data: <&#160;{i B           > A0 7B 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001421F68F680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000001421F696A90, 16 bytes long.
 Data: <&#232;zi B           > E8 7A 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001421F697620, 16 bytes long.
 Data: <&#192;zi B           > C0 7A 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001421F697710, 16 bytes long.
 Data: < zi B           > 98 7A 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001421F696EF0, 16 bytes long.
 Data: <pzi B           > 70 7A 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001421F6974E0, 16 bytes long.
 Data: <Hzi B           > 48 7A 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001421F696E50, 16 bytes long.
 Data: < zi B           > 20 7A 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001421F697440, 16 bytes long.
 Data: <0Mi B           > 30 4D 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001421F694D30, 40 bytes long.
 Data: <@ti B   &#176;&#142;U!B   > 40 74 69 1F 42 01 00 00 B0 8E 55 21 42 01 00 00 
{274} normal block at 0x000001421F6973A0, 16 bytes long.
 Data: < zi B           > 00 7A 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001421F697350, 16 bytes long.
 Data: <&#216;yi B           > D8 79 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001421F68FFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000001421F696A40, 16 bytes long.
 Data: <&#176;yi B           > B0 79 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001421F6979B0, 992 bytes long.
 Data: <@ji B   &#224;&#255;h B   > 40 6A 69 1F 42 01 00 00 E0 FF 68 1F 42 01 00 00 
{106} normal block at 0x000001421F68F3E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000001421F68BEA0, 16 bytes long.
 Data: <PLi B           > 50 4C 69 1F 42 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001421F694C50, 40 bytes long.
 Data: <&#160;&#190;h B   &#224;&#243;h B   > A0 BE 68 1F 42 01 00 00 E0 F3 68 1F 42 01 00 00 
{83} normal block at 0x000001421F68BDB0, 16 bytes long.
 Data: < &#234;&#158;"&#246;           > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001421F68BCC0, 16 bytes long.
 Data: <@&#233;&#158;"&#246;           > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001421F68BEF0, 16 bytes long.
 Data: <&#248;W&#155;"&#246;           > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001421F68B6D0, 16 bytes long.
 Data: <&#216;W&#155;"&#246;           > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001421F68BA40, 16 bytes long.
 Data: <P &#155;"&#246;           > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001421F68BC70, 16 bytes long.
 Data: <0 &#155;"&#246;           > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001421F68BE00, 16 bytes long.
 Data: <&#224; &#155;"&#246;           > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001421F68B5E0, 16 bytes long.
 Data: <  &#155;"&#246;           > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001421F68B360, 16 bytes long.
 Data: <p &#155;"&#246;           > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001421F68B9F0, 16 bytes long.
 Data: < &#192; "&#246;           > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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