Task 38686916

Name test_411-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2245_0
Workunit 31628325
Created 28 Oct 2026, 5:03:43 UTC
Sent 28 Oct 2026, 5:03:48 UTC
Report deadline 2 Nov 2026, 5:03:48 UTC
Received 28 Oct 2026, 8:32:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 54 min 13 sec
CPU time 47 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.41 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:39:56 (31064): wrapper (7.9.26016): starting
00:39:56 (31064): 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
00:39:59 (31064): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:39:59 (31064): 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\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 'C:\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
01:31:50 (31064): C:/Windows/system32/cmd.exe exited; CPU time 2877.875000
01:31:50 (31064): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 59753939 bytes.
Dumping objects ->
{3835458} normal block at 0x00000203A0DC9CE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x00000203A0DC9960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x00000203A0DC9B90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000002039EFE6620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000002039EFE65B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x00000203A0DDAC90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x00000203A0DF0A80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835369} normal block at 0x000002039EFDF2D0, 8 bytes long.
 Data: <  J&#159;    > 00 00 4A 9F 03 02 00 00 
{3834654} normal block at 0x00000203A0DF03A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002039EFDF820, 8 bytes long.
 Data: <&#224;S&#227;&#160;    > E0 53 E3 A0 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002039EFE2FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002039EFD7B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002039EFE7C80, 16 bytes long.
 Data: <X &#254;&#158;            > 58 81 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002039EFE7B90, 16 bytes long.
 Data: <0 &#254;&#158;            > 30 81 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002039EFE0C60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002039EFE6F60, 16 bytes long.
 Data: <  &#254;&#158;            > 08 81 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002039EFE7230, 16 bytes long.
 Data: <&#224; &#254;&#158;            > E0 80 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002039EFE78C0, 16 bytes long.
 Data: <&#184; &#254;&#158;            > B8 80 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002039EFE7B40, 16 bytes long.
 Data: <  &#254;&#158;            > 90 80 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002039EFE64D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002039EFE7AF0, 16 bytes long.
 Data: <(j&#254;&#158;            > 28 6A FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002039EFE0FC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002039EFE7A50, 16 bytes long.
 Data: < j&#254;&#158;            > 00 6A FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002039EFE7A00, 16 bytes long.
 Data: <&#216;i&#254;&#158;            > D8 69 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002039EFE7730, 16 bytes long.
 Data: <&#176;i&#254;&#158;            > B0 69 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002039EFE6EC0, 16 bytes long.
 Data: < i&#254;&#158;            > 88 69 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002039EFE7370, 16 bytes long.
 Data: <`i&#254;&#158;            > 60 69 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002039EFE7DC0, 16 bytes long.
 Data: <8i&#254;&#158;            > 38 69 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002039EFE1560, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002039EFE70F0, 16 bytes long.
 Data: < i&#254;&#158;            > 10 69 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002039EFE6910, 320 bytes long.
 Data: <&#240;p&#254;&#158;    ` &#254;&#158;    > F0 70 FE 9E 03 02 00 00 60 15 FE 9E 03 02 00 00 
{278} normal block at 0x000002039EFE7C30, 16 bytes long.
 Data: <p &#254;&#158;            > 70 80 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002039EFE7D70, 16 bytes long.
 Data: <H &#254;&#158;            > 48 80 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002039EFE0840, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002039EFE7320, 16 bytes long.
 Data: <  &#254;&#158;            > 20 80 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002039EFE0AE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002039EFE7000, 16 bytes long.
 Data: <h &#254;&#158;            > 68 7F FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002039EFE7640, 16 bytes long.
 Data: <@ &#254;&#158;            > 40 7F FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002039EFE79B0, 16 bytes long.
 Data: <  &#254;&#158;            > 18 7F FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002039EFE7910, 16 bytes long.
 Data: <&#240;~&#254;&#158;            > F0 7E FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002039EFE75F0, 16 bytes long.
 Data: <&#200;~&#254;&#158;            > C8 7E FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002039EFE73C0, 16 bytes long.
 Data: <&#160;~&#254;&#158;            > A0 7E FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002039EFE6E70, 16 bytes long.
 Data: <Pa&#254;&#158;            > 50 61 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002039EFE6150, 40 bytes long.
 Data: <pn&#254;&#158;     &#172;&#221;&#160;    > 70 6E FE 9E 03 02 00 00 90 AC DD A0 03 02 00 00 
{264} normal block at 0x000002039EFE72D0, 16 bytes long.
 Data: < ~&#254;&#158;            > 80 7E FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002039EFE7960, 16 bytes long.
 Data: <X~&#254;&#158;            > 58 7E FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002039EFE09C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002039EFE7280, 16 bytes long.
 Data: <0~&#254;&#158;            > 30 7E FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002039EFE7E30, 992 bytes long.
 Data: < r&#254;&#158;    &#192;	&#254;&#158;    > 80 72 FE 9E 03 02 00 00 C0 09 FE 9E 03 02 00 00 
{96} normal block at 0x000002039EFE0D80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002039EFDEF10, 16 bytes long.
 Data: <&#192;a&#254;&#158;            > C0 61 FE 9E 03 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002039EFE61C0, 40 bytes long.
 Data: < &#239;&#253;&#158;      &#254;&#158;    > 10 EF FD 9E 03 02 00 00 80 0D FE 9E 03 02 00 00 
{73} normal block at 0x000002039EFDF370, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002039EFDF690, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002039EFDE920, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002039EFDF500, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002039EFDEEC0, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002039EFDF320, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002039EFDF5A0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002039EFDF4B0, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002039EFDF5F0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002039EFDEDD0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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