Task 38676558

Name test_749-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1962_0
Workunit 31618462
Created 26 Oct 2026, 11:40:04 UTC
Sent 26 Oct 2026, 11:40:10 UTC
Report deadline 31 Oct 2026, 11:40:10 UTC
Received 26 Oct 2026, 16:13:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654638
Run time 45 min 31 sec
CPU time 41 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,725.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.22 MB
Peak swap size 5.43 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:28:18 (21108): wrapper (7.9.26016): starting
16:28:18 (21108): 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
16:28:20 (21108): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:28:20 (21108): 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\13\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\13\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
17:11:47 (21108): C:/Windows/system32/cmd.exe exited; CPU time 2517.906250
17:11:47 (21108): 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: 59645369 bytes.
Dumping objects ->
{3835437} normal block at 0x00000167482DAE10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x00000167482DAFD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x00000167482DAE80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x00000167482B5650, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x00000167482B5960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x0000016749EE8A70, 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) : {3835349} normal block at 0x00000167482AE3D0, 8 bytes long.
 Data: <  hHg   > 00 00 68 48 67 01 00 00 
{3833967} normal block at 0x00000167482ADED0, 8 bytes long.
 Data: <&#240;P&#247;Ig   > F0 50 F7 49 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000167482B2080, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000167482A67B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000167482B6540, 16 bytes long.
 Data: <8r+Hg           > 38 72 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000167482B61D0, 16 bytes long.
 Data: < r+Hg           > 10 72 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000167482AF8B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000167482B6950, 16 bytes long.
 Data: <&#232;q+Hg           > E8 71 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000167482B6C20, 16 bytes long.
 Data: <&#192;q+Hg           > C0 71 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000167482B6130, 16 bytes long.
 Data: < q+Hg           > 98 71 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000167482B6A40, 16 bytes long.
 Data: <pq+Hg           > 70 71 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000167482B57A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000167482B60E0, 16 bytes long.
 Data: <X&#250;)Hg           > 58 FA 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000167482B05D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000167482B6DB0, 16 bytes long.
 Data: <0&#250;)Hg           > 30 FA 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000167482B64F0, 16 bytes long.
 Data: < &#250;)Hg           > 08 FA 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000167482B6EA0, 16 bytes long.
 Data: <&#224;&#249;)Hg           > E0 F9 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000167482B6180, 16 bytes long.
 Data: <&#184;&#249;)Hg           > B8 F9 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000167482B6590, 16 bytes long.
 Data: < &#249;)Hg           > 90 F9 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000167482B6BD0, 16 bytes long.
 Data: <h&#249;)Hg           > 68 F9 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000167482AFA30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000167482B67C0, 16 bytes long.
 Data: <@&#249;)Hg           > 40 F9 29 48 67 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001674829F940, 320 bytes long.
 Data: <&#192;g+Hg   0&#250;*Hg   > C0 67 2B 48 67 01 00 00 30 FA 2A 48 67 01 00 00 
{279} normal block at 0x00000167482B5FA0, 16 bytes long.
 Data: <Pq+Hg           > 50 71 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000167482B6090, 16 bytes long.
 Data: <(q+Hg           > 28 71 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000167482B0570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000167482B6220, 16 bytes long.
 Data: < q+Hg           > 00 71 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000167482B0150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000167482B6D60, 16 bytes long.
 Data: <Hp+Hg           > 48 70 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000167482B6630, 16 bytes long.
 Data: < p+Hg           > 20 70 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000167482B6770, 16 bytes long.
 Data: <&#248;o+Hg           > F8 6F 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000167482B6450, 16 bytes long.
 Data: <&#208;o+Hg           > D0 6F 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000167482B6040, 16 bytes long.
 Data: <&#168;o+Hg           > A8 6F 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000167482B69A0, 16 bytes long.
 Data: < o+Hg           > 80 6F 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000167482B6860, 16 bytes long.
 Data: <pU+Hg           > 70 55 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000167482B5570, 40 bytes long.
 Data: <`h+Hg   p&#138;&#238;Ig   > 60 68 2B 48 67 01 00 00 70 8A EE 49 67 01 00 00 
{265} normal block at 0x00000167482B6720, 16 bytes long.
 Data: <`o+Hg           > 60 6F 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000167482B68B0, 16 bytes long.
 Data: <8o+Hg           > 38 6F 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000167482B0510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000167482B66D0, 16 bytes long.
 Data: < o+Hg           > 10 6F 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000167482B6F10, 992 bytes long.
 Data: <&#208;f+Hg     +Hg   > D0 66 2B 48 67 01 00 00 10 05 2B 48 67 01 00 00 
{97} normal block at 0x00000167482AFA90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000167482AE380, 16 bytes long.
 Data: <0W+Hg           > 30 57 2B 48 67 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000167482B5730, 40 bytes long.
 Data: < &#227;*Hg    &#250;*Hg   > 80 E3 2A 48 67 01 00 00 90 FA 2A 48 67 01 00 00 
{74} normal block at 0x00000167482ADD90, 16 bytes long.
 Data: < &#234;@&#249;&#246;           > 80 EA 40 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000167482ADB60, 16 bytes long.
 Data: <@&#233;@&#249;&#246;           > 40 E9 40 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000167482ADB10, 16 bytes long.
 Data: <&#248;W=&#249;&#246;           > F8 57 3D F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000167482ADA70, 16 bytes long.
 Data: <&#216;W=&#249;&#246;           > D8 57 3D F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000167482AE740, 16 bytes long.
 Data: <P =&#249;&#246;           > 50 04 3D F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000167482AE010, 16 bytes long.
 Data: <0 =&#249;&#246;           > 30 04 3D F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000167482ADD40, 16 bytes long.
 Data: <&#224; =&#249;&#246;           > E0 02 3D F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000167482ADC50, 16 bytes long.
 Data: <  =&#249;&#246;           > 10 04 3D F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000167482ADA20, 16 bytes long.
 Data: <p =&#249;&#246;           > 70 04 3D F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000167482ADC00, 16 bytes long.
 Data: < &#192;;&#249;&#246;           > 18 C0 3B F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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