Task 38696485

Name test_178-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6894_0
Workunit 31637116
Created 1 Nov 2026, 0:25:46 UTC
Sent 1 Nov 2026, 0:25:53 UTC
Report deadline 6 Nov 2026, 0:25:53 UTC
Received 1 Nov 2026, 5:01:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 410651
Run time 1 hours 38 min 27 sec
CPU time 1 hours 19 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,933.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.08 MB
Peak swap size 2.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:17:09 (22428): wrapper (7.9.26016): starting
12:17:09 (22428): 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
12:17:13 (22428): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:17:13 (22428): 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 'E:\ProgramData\BOINC\slots\0\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 'E:\ProgramData\BOINC\slots\0\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
13:52:02 (22428): C:/Windows/system32/cmd.exe exited; CPU time 4748.765625
13:52:02 (22428): 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: 89291443 bytes.
Dumping objects ->
{3835302} normal block at 0x0000022803A3ABD0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x0000022803A3AB60, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000022803A3AE70, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835269} normal block at 0x0000022803A3B1F0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x0000022803A3A930, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835227} normal block at 0x0000022805959590, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835214} normal block at 0x0000022803A08180, 8 bytes long.
 Data: <  : (   > 00 00 3A 05 28 02 00 00 
{3834073} normal block at 0x0000022803A07D20, 8 bytes long.
 Data: <@M  (   > 40 4D 9B 05 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022803A17550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000228039FC400, 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 0x0000022803A16A10, 16 bytes long.
 Data: <&#216;q&#161; (           > D8 71 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022803A16BA0, 16 bytes long.
 Data: <&#176;q&#161; (           > B0 71 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022803A0C700, 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 0x0000022803A15E80, 16 bytes long.
 Data: < q&#161; (           > 88 71 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022803A16790, 16 bytes long.
 Data: <`q&#161; (           > 60 71 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022803A16B50, 16 bytes long.
 Data: <8q&#161; (           > 38 71 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022803A162E0, 16 bytes long.
 Data: < q&#161; (           > 10 71 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022803A0F0F0, 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 0x0000022803A16650, 16 bytes long.
 Data: <8   (           > 38 E9 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022803A0C340, 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 0x0000022803A16420, 16 bytes long.
 Data: <    (           > 10 E9 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022803A16240, 16 bytes long.
 Data: <    (           > E8 E8 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022803A15FC0, 16 bytes long.
 Data: <&#192;   (           > C0 E8 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022803A164C0, 16 bytes long.
 Data: <    (           > 98 E8 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022803A16740, 16 bytes long.
 Data: <p   (           > 70 E8 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022803A161A0, 16 bytes long.
 Data: <H   (           > 48 E8 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022803A0CFA0, 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 0x0000022803A166F0, 16 bytes long.
 Data: <    (           > 20 E8 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022803A0E820, 320 bytes long.
 Data: < f&#161; (    &#207;  (   > F0 66 A1 03 28 02 00 00 A0 CF A0 03 28 02 00 00 
{280} normal block at 0x0000022803A16150, 16 bytes long.
 Data: < p&#161; (           > F0 70 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022803A16BF0, 16 bytes long.
 Data: <&#200;p&#161; (           > C8 70 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022803A0C9A0, 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 0x0000022803A16100, 16 bytes long.
 Data: < p&#161; (           > A0 70 A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022803A0C640, 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 0x0000022803A16600, 16 bytes long.
 Data: < o&#161; (           > E8 6F A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022803A16B00, 16 bytes long.
 Data: <&#192;o&#161; (           > C0 6F A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022803A16010, 16 bytes long.
 Data: < o&#161; (           > 98 6F A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022803A166A0, 16 bytes long.
 Data: <po&#161; (           > 70 6F A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022803A15D40, 16 bytes long.
 Data: <Ho&#161; (           > 48 6F A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022803A15DE0, 16 bytes long.
 Data: < o&#161; (           > 20 6F A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022803A160B0, 16 bytes long.
 Data: <&#192;   (           > C0 EE A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022803A0EEC0, 40 bytes long.
 Data: <&#176;`&#161; (       (   > B0 60 A1 03 28 02 00 00 90 95 95 05 28 02 00 00 
{266} normal block at 0x0000022803A16060, 16 bytes long.
 Data: < o&#161; (           > 00 6F A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022803A16920, 16 bytes long.
 Data: <&#216;n&#161; (           > D8 6E A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022803A0C820, 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 0x0000022803A16970, 16 bytes long.
 Data: <&#176;n&#161; (           > B0 6E A1 03 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022803A16EB0, 992 bytes long.
 Data: <pi&#161; (    &#200;  (   > 70 69 A1 03 28 02 00 00 20 C8 A0 03 28 02 00 00 
{98} normal block at 0x0000022803A0CF40, 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 0x0000022803A08310, 16 bytes long.
 Data: <@   (           > 40 F2 A0 03 28 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000022803A0F240, 40 bytes long.
 Data: <    (   @&#207;  (   > 10 83 A0 03 28 02 00 00 40 CF A0 03 28 02 00 00 
{73} normal block at 0x0000022803A07EB0, 16 bytes long.
 Data: <  &#220;             > 80 EA DC F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022803A077D0, 16 bytes long.
 Data: <@ &#220;             > 40 E9 DC F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022803A07E10, 16 bytes long.
 Data: < W&#217;             > F8 57 D9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022803A07640, 16 bytes long.
 Data: <&#216;W&#217;             > D8 57 D9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022803A07A00, 16 bytes long.
 Data: <P &#217;             > 50 04 D9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022803A078C0, 16 bytes long.
 Data: <0 &#217;             > 30 04 D9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022803A082C0, 16 bytes long.
 Data: <  &#217;             > E0 02 D9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022803A08130, 16 bytes long.
 Data: <  &#217;             > 10 04 D9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022803A084F0, 16 bytes long.
 Data: <p &#217;             > 70 04 D9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022803A080E0, 16 bytes long.
 Data: < &#192;&#215;             > 18 C0 D7 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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