Task 38688979

Name test_585-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8742_0
Workunit 31630265
Created 28 Oct 2026, 17:22:10 UTC
Sent 28 Oct 2026, 17:22:13 UTC
Report deadline 2 Nov 2026, 17:22:13 UTC
Received 28 Oct 2026, 18:00:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 36 min 40 sec
CPU time 30 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.04 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:23:43 (53884): wrapper (7.9.26016): starting
02:23:43 (53884): 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
02:23:44 (53884): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:23:44 (53884): 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\18\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\18\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
02:59:24 (53884): C:/Windows/system32/cmd.exe exited; CPU time 1829.453125
02:59:24 (53884): 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: 50427353 bytes.
Dumping objects ->
{3835380} normal block at 0x00000219F1DE1FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x00000219F1DE1BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x00000219F1DE1F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x00000219F1DE2090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x00000219F1DE1ED0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x00000219F1D0AF50, 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) : {3835292} normal block at 0x00000219EE43D2D0, 8 bytes long.
 Data: <        > 00 00 86 EE 19 02 00 00 
{3834077} normal block at 0x00000219EE43DFA0, 8 bytes long.
 Data: < ,&#219;     > E0 2C DB F1 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000219EE42EA30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000219EE4274E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000219EE43D280, 16 bytes long.
 Data: <8&#209;C             > 38 D1 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000219EE43DAF0, 16 bytes long.
 Data: < &#209;C             > 10 D1 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000219EE435E40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000219EE43E180, 16 bytes long.
 Data: < &#208;C             > E8 D0 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000219EE43D370, 16 bytes long.
 Data: <&#192;&#208;C             > C0 D0 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000219EE439900, 16 bytes long.
 Data: < &#208;C             > 98 D0 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000219EE439450, 16 bytes long.
 Data: <p&#208;C             > 70 D0 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000219EE4380B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000219EE439400, 16 bytes long.
 Data: < wC             > 88 77 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219EE4363E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000219EE4392C0, 16 bytes long.
 Data: <`wC             > 60 77 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000219EE439270, 16 bytes long.
 Data: <8wC             > 38 77 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000219EE439680, 16 bytes long.
 Data: < wC             > 10 77 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000219EE439590, 16 bytes long.
 Data: < vC             > E8 76 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000219EE4399A0, 16 bytes long.
 Data: <&#192;vC             > C0 76 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000219EE439CC0, 16 bytes long.
 Data: < vC             > 98 76 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000219EE436260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000219EE439B80, 16 bytes long.
 Data: <pvC             > 70 76 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219EE437670, 320 bytes long.
 Data: <  C     `bC     > 80 9B 43 EE 19 02 00 00 60 62 43 EE 19 02 00 00 
{281} normal block at 0x00000219EE4396D0, 16 bytes long.
 Data: <P&#208;C             > 50 D0 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000219EE43A170, 16 bytes long.
 Data: <(&#208;C             > 28 D0 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000219EE435960, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000219EE439F40, 16 bytes long.
 Data: < &#208;C             > 00 D0 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000219EE436320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000219EE43A120, 16 bytes long.
 Data: <H&#207;C             > 48 CF 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000219EE439360, 16 bytes long.
 Data: < &#207;C             > 20 CF 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000219EE43A0D0, 16 bytes long.
 Data: < &#206;C             > F8 CE 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000219EE439EA0, 16 bytes long.
 Data: <&#208;&#206;C             > D0 CE 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000219EE439310, 16 bytes long.
 Data: <&#168;&#206;C             > A8 CE 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000219EE439540, 16 bytes long.
 Data: < &#206;C             > 80 CE 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219EE43A1C0, 16 bytes long.
 Data: < {C             > E0 7B 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000219EE437BE0, 40 bytes long.
 Data: <&#192;&#161;C     P&#175;&#208;     > C0 A1 43 EE 19 02 00 00 50 AF D0 F1 19 02 00 00 
{267} normal block at 0x00000219EE439E50, 16 bytes long.
 Data: <`&#206;C             > 60 CE 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000219EE439860, 16 bytes long.
 Data: <8&#206;C             > 38 CE 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000219EE4358A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000219EE439A90, 16 bytes long.
 Data: < &#206;C             > 10 CE 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000219EE43CE10, 992 bytes long.
 Data: <  C      XC     > 90 9A 43 EE 19 02 00 00 A0 58 43 EE 19 02 00 00 
{99} normal block at 0x00000219EE435C60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000219EE4393B0, 16 bytes long.
 Data: < ~C             > 10 7E 43 EE 19 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000219EE437E10, 40 bytes long.
 Data: <&#176; C     `\C     > B0 93 43 EE 19 02 00 00 60 5C 43 EE 19 02 00 00 
{74} normal block at 0x00000219EE4397C0, 16 bytes long.
 Data: <  &#196;             > 80 EA C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000219EE439630, 16 bytes long.
 Data: <@ &#196;             > 40 E9 C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000219EE439DB0, 16 bytes long.
 Data: < W&#193;             > F8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000219EE4394F0, 16 bytes long.
 Data: <&#216;W&#193;             > D8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000219EE4395E0, 16 bytes long.
 Data: <P &#193;             > 50 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219EE439720, 16 bytes long.
 Data: <0 &#193;             > 30 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219EE42BA10, 16 bytes long.
 Data: <  &#193;             > E0 02 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219EE42B600, 16 bytes long.
 Data: <  &#193;             > 10 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219EE42B290, 16 bytes long.
 Data: <p &#193;             > 70 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219EE42B9C0, 16 bytes long.
 Data: < &#192;&#191;             > 18 C0 BF 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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