Task 38681134

Name test_647-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9540_0
Workunit 31622816
Created 27 Oct 2026, 2:48:41 UTC
Sent 27 Oct 2026, 2:48:47 UTC
Report deadline 1 Nov 2026, 2:48:47 UTC
Received 27 Oct 2026, 4:41:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 33 min 40 sec
CPU time 30 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.40 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:06:59 (20032): wrapper (7.9.26016): starting
06:06:59 (20032): 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
06:07:02 (20032): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:07:02 (20032): 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\24\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\24\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
06:41:25 (20032): C:/Windows/system32/cmd.exe exited; CPU time 1846.656250
06:41:25 (20032): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 25376399 bytes.
Dumping objects ->
{3835256} normal block at 0x000001CE55455360, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001CE554556E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001CE55456010, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001CE554557C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001CE55456080, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001CE56F1B3C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001CE56E74940, 180 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) : {3835166} normal block at 0x000001CE55425AA0, 8 bytes long.
 Data: <  ?U&#206;   > 00 00 3F 55 CE 01 00 00 
{3834558} normal block at 0x000001CE56E73FE0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001CE55426310, 8 bytes long.
 Data: < &#233;PU&#206;   > 10 E9 50 55 CE 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001CE55430780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CE55431800, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001CE554327B0, 16 bytes long.
 Data: < 1CU&#206;           > 98 31 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CE55431C20, 16 bytes long.
 Data: <p1CU&#206;           > 70 31 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CE5542C5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001CE55431BD0, 16 bytes long.
 Data: <H1CU&#206;           > 48 31 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CE55432760, 16 bytes long.
 Data: < 1CU&#206;           > 20 31 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CE55431CC0, 16 bytes long.
 Data: <&#248;0CU&#206;           > F8 30 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CE55432710, 16 bytes long.
 Data: <&#208;0CU&#206;           > D0 30 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CE5542A9F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001CE55432030, 16 bytes long.
 Data: <  CU&#206;           > 98 17 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CE5542C160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001CE55431B30, 16 bytes long.
 Data: <p CU&#206;           > 70 17 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CE55432620, 16 bytes long.
 Data: <H CU&#206;           > 48 17 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CE55432300, 16 bytes long.
 Data: <  CU&#206;           > 20 17 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CE554319F0, 16 bytes long.
 Data: <&#248; CU&#206;           > F8 16 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CE55431950, 16 bytes long.
 Data: <&#208; CU&#206;           > D0 16 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CE55432800, 16 bytes long.
 Data: <&#168; CU&#206;           > A8 16 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CE5542CA60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001CE55431FE0, 16 bytes long.
 Data: <&#128; CU&#206;           > 80 16 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CE55431680, 320 bytes long.
 Data: <&#224; CU&#206;   `&#202;BU&#206;   > E0 1F 43 55 CE 01 00 00 60 CA 42 55 CE 01 00 00 
{273} normal block at 0x000001CE55431F90, 16 bytes long.
 Data: <&#176;0CU&#206;           > B0 30 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CE55432580, 16 bytes long.
 Data: < 0CU&#206;           > 88 30 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CE5542CE80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001CE55432080, 16 bytes long.
 Data: <`0CU&#206;           > 60 30 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CE5542C820, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001CE55432530, 16 bytes long.
 Data: <&#168;/CU&#206;           > A8 2F 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CE554326C0, 16 bytes long.
 Data: <&#128;/CU&#206;           > 80 2F 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CE554321C0, 16 bytes long.
 Data: <X/CU&#206;           > 58 2F 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CE554324E0, 16 bytes long.
 Data: <0/CU&#206;           > 30 2F 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CE55432210, 16 bytes long.
 Data: < /CU&#206;           > 08 2F 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CE55432850, 16 bytes long.
 Data: <&#224;.CU&#206;           > E0 2E 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CE55431AE0, 16 bytes long.
 Data: <@&#171;BU&#206;           > 40 AB 42 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CE5542AB40, 40 bytes long.
 Data: <&#224; CU&#206;   &#192;&#179;&#241;V&#206;   > E0 1A 43 55 CE 01 00 00 C0 B3 F1 56 CE 01 00 00 
{259} normal block at 0x000001CE55431C70, 16 bytes long.
 Data: <&#192;.CU&#206;           > C0 2E 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CE554319A0, 16 bytes long.
 Data: < .CU&#206;           > 98 2E 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CE5542CB20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001CE55431A90, 16 bytes long.
 Data: <p.CU&#206;           > 70 2E 43 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CE55432E70, 992 bytes long.
 Data: <&#144; CU&#206;    &#203;BU&#206;   > 90 1A 43 55 CE 01 00 00 20 CB 42 55 CE 01 00 00 
{91} normal block at 0x000001CE5542C520, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001CE55425F50, 16 bytes long.
 Data: <P&#174;BU&#206;           > 50 AE 42 55 CE 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001CE5542AE50, 40 bytes long.
 Data: <P_BU&#206;    &#197;BU&#206;   > 50 5F 42 55 CE 01 00 00 20 C5 42 55 CE 01 00 00 
{68} normal block at 0x000001CE55425C30, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CE55425EB0, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CE55425C80, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CE55425E60, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CE55426720, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CE55425D20, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CE55426680, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CE55425CD0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CE554264A0, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CE55425D70, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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