Task 38688556

Name test_111-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4126_0
Workunit 31629895
Created 28 Oct 2026, 14:45:48 UTC
Sent 28 Oct 2026, 14:45:52 UTC
Report deadline 2 Nov 2026, 14:45:52 UTC
Received 28 Oct 2026, 17:51:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 2 min 19 sec
CPU time 58 min 21 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 725.50 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>
12:51:04 (43028): wrapper (7.9.26016): starting
12:51:04 (43028): 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
12:51:06 (43028): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:51:06 (43028): 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
13:51:35 (43028): C:/Windows/system32/cmd.exe exited; CPU time 3501.953125
13:51:35 (43028): 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: 74994767 bytes.
Dumping objects ->
{3835525} normal block at 0x0000024C0F2B7AA0, 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 0x0000024C0F2B72C0, 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 0x0000024C0F2B6ED0, 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 0x0000024C0F2B7250, 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 0x0000024C0F2B6F40, 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 0x0000024C0F21CB90, 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 0x0000024C0D5FD640, 8 bytes long.
 Data: <  \ L   > 00 00 5C 0D 4C 02 00 00 
{3833969} normal block at 0x0000024C0D5FCEC0, 8 bytes long.
 Data: < G` L   > 00 47 60 0D 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024C0D600EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000024C0D5F5DF0, 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 0x0000024C0D605B90, 16 bytes long.
 Data: <&#168;a` L           > A8 61 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024C0D6052D0, 16 bytes long.
 Data: < a` L           > 80 61 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024C0D5FEA80, 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 0x0000024C0D6055A0, 16 bytes long.
 Data: <Xa` L           > 58 61 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024C0D605E10, 16 bytes long.
 Data: <0a` L           > 30 61 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024C0D6051E0, 16 bytes long.
 Data: < a` L           > 08 61 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024C0D605690, 16 bytes long.
 Data: <&#224;`` L           > E0 60 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024C0D6035A0, 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 0x0000024C0D605410, 16 bytes long.
 Data: < &#246;^ L           > 08 F6 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C0D5FF1A0, 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 0x0000024C0D605AF0, 16 bytes long.
 Data: <&#224;&#245;^ L           > E0 F5 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024C0D605DC0, 16 bytes long.
 Data: <&#184;&#245;^ L           > B8 F5 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024C0D605D70, 16 bytes long.
 Data: < &#245;^ L           > 90 F5 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024C0D605960, 16 bytes long.
 Data: <h&#245;^ L           > 68 F5 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024C0D605D20, 16 bytes long.
 Data: <@&#245;^ L           > 40 F5 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024C0D605CD0, 16 bytes long.
 Data: < &#245;^ L           > 18 F5 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024C0D5FF260, 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 0x0000024C0D605280, 16 bytes long.
 Data: <&#240;&#244;^ L           > F0 F4 5E 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C0D5EF4F0, 320 bytes long.
 Data: < R` L   `&#242;_ L   > 80 52 60 0D 4C 02 00 00 60 F2 5F 0D 4C 02 00 00 
{280} normal block at 0x0000024C0D605780, 16 bytes long.
 Data: <&#192;`` L           > C0 60 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024C0D605910, 16 bytes long.
 Data: < `` L           > 98 60 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024C0D5FE360, 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 0x0000024C0D604FB0, 16 bytes long.
 Data: <p`` L           > 70 60 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024C0D5FE8A0, 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 0x0000024C0D605230, 16 bytes long.
 Data: <&#184;_` L           > B8 5F 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024C0D6050A0, 16 bytes long.
 Data: < _` L           > 90 5F 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024C0D605550, 16 bytes long.
 Data: <h_` L           > 68 5F 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024C0D605C30, 16 bytes long.
 Data: <@_` L           > 40 5F 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024C0D605190, 16 bytes long.
 Data: < _` L           > 18 5F 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024C0D604F60, 16 bytes long.
 Data: <&#240;^` L           > F0 5E 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024C0D6058C0, 16 bytes long.
 Data: <@8` L           > 40 38 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024C0D603840, 40 bytes long.
 Data: <&#192;X` L    &#203;! L   > C0 58 60 0D 4C 02 00 00 90 CB 21 0F 4C 02 00 00 
{266} normal block at 0x0000024C0D605B40, 16 bytes long.
 Data: <&#208;^` L           > D0 5E 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024C0D605460, 16 bytes long.
 Data: <&#168;^` L           > A8 5E 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024C0D5FEEA0, 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 0x0000024C0D605A50, 16 bytes long.
 Data: < ^` L           > 80 5E 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024C0D605E80, 992 bytes long.
 Data: <PZ` L   &#160;&#238;_ L   > 50 5A 60 0D 4C 02 00 00 A0 EE 5F 0D 4C 02 00 00 
{98} normal block at 0x0000024C0D5FEE40, 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 0x0000024C0D5FD6E0, 16 bytes long.
 Data: < 9` L           > 90 39 60 0D 4C 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000024C0D603990, 40 bytes long.
 Data: <&#224;&#214;_ L   @&#238;_ L   > E0 D6 5F 0D 4C 02 00 00 40 EE 5F 0D 4C 02 00 00 
{75} normal block at 0x0000024C0D5FD0A0, 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 0x0000024C0D5FCB50, 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 0x0000024C0D5FD280, 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 0x0000024C0D5FD460, 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 0x0000024C0D5FCFB0, 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 0x0000024C0D5FCD30, 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 0x0000024C0D5FD5A0, 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 0x0000024C0D5FCA10, 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 0x0000024C0D5FD780, 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 0x0000024C0D5FD910, 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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