Task 38689459

Name test_260-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8288_0
Workunit 31630713
Created 28 Oct 2026, 21:08:09 UTC
Sent 28 Oct 2026, 21:08:14 UTC
Report deadline 2 Nov 2026, 21:08:14 UTC
Received 28 Oct 2026, 21:43:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 24 min 41 sec
CPU time 17 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.55 MB
Peak swap size 11.52 GB
Peak disk usage 4.12 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:22:31 (8864): wrapper (7.9.26016): starting
17:22:31 (8864): 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
17:22:33 (8864): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:22:33 (8864): 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
17:41:37 (8864): C:/Windows/system32/cmd.exe exited; CPU time 1061.046875
17:41:37 (8864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22331067 bytes.
Dumping objects ->
{3835525} normal block at 0x0000022F9A2C2CC0, 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 0x0000022F9A2C2C50, 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 0x0000022F9A2C2A90, 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 0x0000022F9A2C2A20, 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 0x0000022F9A2C29B0, 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 0x0000022F9A2C54E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x0000022F9C081D10, 140 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) : {3835436} normal block at 0x0000022F9A2BE5D0, 8 bytes long.
 Data: <   &#154;/   > 00 00 0D 9A 2F 02 00 00 
{3834686} normal block at 0x0000022F9C081DE0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000022F9A2BD770, 8 bytes long.
 Data: <&#176;  &#156;/   > B0 0F 08 9C 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022F9A2B5BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022F9A2B70A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000022F9A2C3490, 16 bytes long.
 Data: < E,&#154;/           > 98 45 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022F9A2C3A80, 16 bytes long.
 Data: <pE,&#154;/           > 70 45 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022F9A2BEA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000022F9A2C3850, 16 bytes long.
 Data: <HE,&#154;/           > 48 45 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022F9A2C3940, 16 bytes long.
 Data: < E,&#154;/           > 20 45 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022F9A2C3A30, 16 bytes long.
 Data: <&#248;D,&#154;/           > F8 44 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022F9A2C3EE0, 16 bytes long.
 Data: <&#208;D,&#154;/           > D0 44 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022F9A2C2780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000022F9A2C4110, 16 bytes long.
 Data: <&#216;&#238;*&#154;/           > D8 EE 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022F9A2BED80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000022F9A2C3710, 16 bytes long.
 Data: <&#176;&#238;*&#154;/           > B0 EE 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022F9A2C3FD0, 16 bytes long.
 Data: < &#238;*&#154;/           > 88 EE 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022F9A2C3760, 16 bytes long.
 Data: <`&#238;*&#154;/           > 60 EE 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022F9A2C3F80, 16 bytes long.
 Data: <8&#238;*&#154;/           > 38 EE 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022F9A2C3DA0, 16 bytes long.
 Data: < &#238;*&#154;/           > 10 EE 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022F9A2C3E40, 16 bytes long.
 Data: <&#232;&#237;*&#154;/           > E8 ED 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022F9A2BF620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000022F9A2C38F0, 16 bytes long.
 Data: <&#192;&#237;*&#154;/           > C0 ED 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022F9A2AEDC0, 320 bytes long.
 Data: <&#240;8,&#154;/    &#246;+&#154;/   > F0 38 2C 9A 2F 02 00 00 20 F6 2B 9A 2F 02 00 00 
{274} normal block at 0x0000022F9A2C33F0, 16 bytes long.
 Data: <&#176;D,&#154;/           > B0 44 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022F9A2C37B0, 16 bytes long.
 Data: < D,&#154;/           > 88 44 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022F9A2BF440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000022F9A2C33A0, 16 bytes long.
 Data: <`D,&#154;/           > 60 44 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022F9A2BF140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000022F9A2C3530, 16 bytes long.
 Data: <&#168;C,&#154;/           > A8 43 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022F9A2C3350, 16 bytes long.
 Data: < C,&#154;/           > 80 43 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022F9A2C3300, 16 bytes long.
 Data: <XC,&#154;/           > 58 43 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022F9A2C36C0, 16 bytes long.
 Data: <0C,&#154;/           > 30 43 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022F9A2C3670, 16 bytes long.
 Data: < C,&#154;/           > 08 43 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022F9A2C41B0, 16 bytes long.
 Data: <&#224;B,&#154;/           > E0 42 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022F9A2C3DF0, 16 bytes long.
 Data: < +,&#154;/           > 00 2B 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022F9A2C2B00, 40 bytes long.
 Data: <&#240;=,&#154;/   &#224;T,&#154;/   > F0 3D 2C 9A 2F 02 00 00 E0 54 2C 9A 2F 02 00 00 
{260} normal block at 0x0000022F9A2C32B0, 16 bytes long.
 Data: <&#192;B,&#154;/           > C0 42 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022F9A2C3620, 16 bytes long.
 Data: < B,&#154;/           > 98 42 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022F9A2BEDE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000022F9A2C3440, 16 bytes long.
 Data: <pB,&#154;/           > 70 42 2C 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022F9A2C4270, 992 bytes long.
 Data: <@4,&#154;/   &#224;&#237;+&#154;/   > 40 34 2C 9A 2F 02 00 00 E0 ED 2B 9A 2F 02 00 00 
{92} normal block at 0x0000022F9A2BF560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000022F9A2BD860, 16 bytes long.
 Data: < &#203;*&#154;/           > 20 CB 2A 9A 2F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022F9A2ACB20, 40 bytes long.
 Data: <`&#216;+&#154;/   `&#245;+&#154;/   > 60 D8 2B 9A 2F 02 00 00 60 F5 2B 9A 2F 02 00 00 
{69} normal block at 0x0000022F9A2BDE50, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022F9A2BE620, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022F9A2BE580, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022F9A2BDD10, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022F9A2BDA90, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022F9A2BDB30, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022F9A2BDCC0, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022F9A2BDC70, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022F9A2BE1C0, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022F9A2BD9A0, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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