Task 38689300

Name test_452-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3426_0
Workunit 31630569
Created 28 Oct 2026, 19:57:45 UTC
Sent 28 Oct 2026, 19:57:49 UTC
Report deadline 2 Nov 2026, 19:57:49 UTC
Received 28 Oct 2026, 22:02:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 2 min 12 sec
CPU time 58 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.64 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:01:18 (16796): wrapper (7.9.26016): starting
17:01:18 (16796): 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
17:01:20 (16796): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:01:20 (16796): 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\11\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\11\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
18:01:46 (16796): C:/Windows/system32/cmd.exe exited; CPU time 3506.468750
18:01:46 (16796): 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: 75111451 bytes.
Dumping objects ->
{3835525} normal block at 0x0000021979EEE130, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000021979EEDB10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x0000021979EEE830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x0000021979EEDBF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000021979EEDFE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000002197BB3D660, 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) : {3835437} normal block at 0x0000021979E0DC70, 8 bytes long.
 Data: <  /z    > 00 00 2F 7A 19 02 00 00 
{3833969} normal block at 0x0000021979E0E0D0, 8 bytes long.
 Data: < R&#225;y    > 20 52 E1 79 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000021979E12190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000021979E06610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000021979E16990, 16 bytes long.
 Data: <&#216;q&#225;y            > D8 71 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021979E16C10, 16 bytes long.
 Data: <&#176;q&#225;y            > B0 71 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021979E0F680, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000021979E16BC0, 16 bytes long.
 Data: < q&#225;y            > 88 71 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021979E16760, 16 bytes long.
 Data: <`q&#225;y            > 60 71 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021979E16260, 16 bytes long.
 Data: <8q&#225;y            > 38 71 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021979E15FE0, 16 bytes long.
 Data: < q&#225;y            > 10 71 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021979E14430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000021979E16A80, 16 bytes long.
 Data: <&#168;Z&#225;y            > A8 5A E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021979E0F740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000021979E163A0, 16 bytes long.
 Data: < Z&#225;y            > 80 5A E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021979E16C60, 16 bytes long.
 Data: <XZ&#225;y            > 58 5A E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021979E16580, 16 bytes long.
 Data: <0Z&#225;y            > 30 5A E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021979E166C0, 16 bytes long.
 Data: < Z&#225;y            > 08 5A E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021979E16530, 16 bytes long.
 Data: <&#224;Y&#225;y            > E0 59 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021979E16B70, 16 bytes long.
 Data: <&#184;Y&#225;y            > B8 59 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021979E0FEC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000021979E16080, 16 bytes long.
 Data: < Y&#225;y            > 90 59 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021979E15990, 320 bytes long.
 Data: < `&#225;y    &#192;&#254;&#224;y    > 80 60 E1 79 19 02 00 00 C0 FE E0 79 19 02 00 00 
{280} normal block at 0x0000021979E15EF0, 16 bytes long.
 Data: <&#240;p&#225;y            > F0 70 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021979E16B20, 16 bytes long.
 Data: <&#200;p&#225;y            > C8 70 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021979E0F6E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000021979E16170, 16 bytes long.
 Data: <&#160;p&#225;y            > A0 70 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021979E0FA40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000021979E16A30, 16 bytes long.
 Data: <&#232;o&#225;y            > E8 6F E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021979E16E40, 16 bytes long.
 Data: <&#192;o&#225;y            > C0 6F E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021979E16710, 16 bytes long.
 Data: < o&#225;y            > 98 6F E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021979E16D50, 16 bytes long.
 Data: <po&#225;y            > 70 6F E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021979E16490, 16 bytes long.
 Data: <Ho&#225;y            > 48 6F E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021979E16DA0, 16 bytes long.
 Data: < o&#225;y            > 20 6F E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021979E16D00, 16 bytes long.
 Data: < A&#225;y            > 90 41 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021979E14190, 40 bytes long.
 Data: < m&#225;y    `&#214;&#179;{    > 00 6D E1 79 19 02 00 00 60 D6 B3 7B 19 02 00 00 
{266} normal block at 0x0000021979E16DF0, 16 bytes long.
 Data: < o&#225;y            > 00 6F E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021979E16210, 16 bytes long.
 Data: <&#216;n&#225;y            > D8 6E E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021979E10100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000021979E16AD0, 16 bytes long.
 Data: <&#176;n&#225;y            > B0 6E E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021979E16EB0, 992 bytes long.
 Data: <&#208;j&#225;y      &#225;y    > D0 6A E1 79 19 02 00 00 00 01 E1 79 19 02 00 00 
{98} normal block at 0x0000021979E0FBC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000021979E0DD10, 16 bytes long.
 Data: <PC&#225;y            > 50 43 E1 79 19 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000021979E14350, 40 bytes long.
 Data: < &#221;&#224;y    &#192;&#251;&#224;y    > 10 DD E0 79 19 02 00 00 C0 FB E0 79 19 02 00 00 
{75} normal block at 0x0000021979E0D950, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021979E0E1C0, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021979E0E300, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021979E0E260, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021979E0DB80, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021979E0DA40, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021979E0DE00, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021979E0DEA0, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021979E0DB30, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021979E0DFE0, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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