Task 38698410

Name test_294-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3690_0
Workunit 31638931
Created 2 Nov 2026, 13:16:50 UTC
Sent 2 Nov 2026, 13:16:53 UTC
Report deadline 7 Nov 2026, 13:16:53 UTC
Received 2 Nov 2026, 13:46:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640525
Run time 25 min 59 sec
CPU time 23 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,679.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.97 MB
Peak swap size 9.93 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:19:38 (26088): wrapper (7.9.26016): starting
08:19:38 (26088): 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
08:19:39 (26088): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:19:39 (26088): 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\1\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\1\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
08:45:30 (26088): C:/Windows/system32/cmd.exe exited; CPU time 1432.765625
08:45:30 (26088): 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: 31356087 bytes.
Dumping objects ->
{3835238} normal block at 0x00000250C37AF2B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000250C37AEB40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x00000250C37AF080, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835205} normal block at 0x00000250C1996AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000250C1996F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835163} normal block at 0x00000250C37F7990, 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) : {3835150} normal block at 0x00000250C1992580, 8 bytes long.
 Data: <   &#194;P   > 00 00 05 C2 50 02 00 00 
{3833957} normal block at 0x00000250C19928A0, 8 bytes long.
 Data: <P&#235;&#166;&#193;P   > 50 EB A6 C1 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000250C1992B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000250C1988150, 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 0x00000250C1998120, 16 bytes long.
 Data: <8u &#193;P           > 38 75 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000250C1998030, 16 bytes long.
 Data: < u &#193;P           > 10 75 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000250C19913F0, 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 0x00000250C1997FE0, 16 bytes long.
 Data: <&#232;t &#193;P           > E8 74 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000250C1997F90, 16 bytes long.
 Data: <&#192;t &#193;P           > C0 74 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000250C1997720, 16 bytes long.
 Data: < t &#193;P           > 98 74 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000250C1998350, 16 bytes long.
 Data: <pt &#193;P           > 70 74 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000250C1996B30, 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 0x00000250C1997CC0, 16 bytes long.
 Data: <8	 &#193;P           > 38 09 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000250C1990DF0, 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 0x00000250C1997860, 16 bytes long.
 Data: < 	 &#193;P           > 10 09 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000250C1997C70, 16 bytes long.
 Data: <&#232;  &#193;P           > E8 08 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000250C1997DB0, 16 bytes long.
 Data: <&#192;  &#193;P           > C0 08 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000250C1997E50, 16 bytes long.
 Data: <   &#193;P           > 98 08 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000250C19980D0, 16 bytes long.
 Data: <p  &#193;P           > 70 08 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000250C19983F0, 16 bytes long.
 Data: <H  &#193;P           > 48 08 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000250C1990FD0, 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 0x00000250C19978B0, 16 bytes long.
 Data: <   &#193;P           > 20 08 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000250C1990820, 320 bytes long.
 Data: <&#176;x &#193;P   &#208;  &#193;P   > B0 78 99 C1 50 02 00 00 D0 0F 99 C1 50 02 00 00 
{274} normal block at 0x00000250C1997770, 16 bytes long.
 Data: <Pt &#193;P           > 50 74 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000250C1998080, 16 bytes long.
 Data: <(t &#193;P           > 28 74 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000250C1990F70, 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 0x00000250C1997D60, 16 bytes long.
 Data: < t &#193;P           > 00 74 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000250C1990AF0, 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 0x00000250C19983A0, 16 bytes long.
 Data: <Hs &#193;P           > 48 73 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000250C1997E00, 16 bytes long.
 Data: < s &#193;P           > 20 73 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000250C19979A0, 16 bytes long.
 Data: <&#248;r &#193;P           > F8 72 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000250C1998300, 16 bytes long.
 Data: <&#208;r &#193;P           > D0 72 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000250C1991EF0, 16 bytes long.
 Data: <&#168;r &#193;P           > A8 72 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000250C1991DB0, 16 bytes long.
 Data: < r &#193;P           > 80 72 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000250C1991D60, 16 bytes long.
 Data: < l &#193;P           > 80 6C 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000250C1996C80, 40 bytes long.
 Data: <`  &#193;P    y &#195;P   > 60 1D 99 C1 50 02 00 00 90 79 7F C3 50 02 00 00 
{260} normal block at 0x00000250C1991C70, 16 bytes long.
 Data: <`r &#193;P           > 60 72 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000250C19921C0, 16 bytes long.
 Data: <8r &#193;P           > 38 72 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000250C19911B0, 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 0x00000250C1992300, 16 bytes long.
 Data: < r &#193;P           > 10 72 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000250C1997210, 992 bytes long.
 Data: < # &#193;P   &#176;  &#193;P   > 00 23 99 C1 50 02 00 00 B0 11 99 C1 50 02 00 00 
{92} normal block at 0x00000250C1990EB0, 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 0x00000250C19923F0, 16 bytes long.
 Data: <pp &#193;P           > 70 70 99 C1 50 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000250C1997070, 40 bytes long.
 Data: <&#240;# &#193;P   &#176;  &#193;P   > F0 23 99 C1 50 02 00 00 B0 0E 99 C1 50 02 00 00 
{69} normal block at 0x00000250C1992120, 16 bytes long.
 Data: < &#234;t&#201;&#246;           > 80 EA 74 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000250C1992760, 16 bytes long.
 Data: <@&#233;t&#201;&#246;           > 40 E9 74 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000250C1991D10, 16 bytes long.
 Data: <&#248;Wq&#201;&#246;           > F8 57 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000250C1991E00, 16 bytes long.
 Data: <&#216;Wq&#201;&#246;           > D8 57 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000250C1992670, 16 bytes long.
 Data: <P q&#201;&#246;           > 50 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000250C1992850, 16 bytes long.
 Data: <0 q&#201;&#246;           > 30 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000250C19922B0, 16 bytes long.
 Data: <&#224; q&#201;&#246;           > E0 02 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000250C19926C0, 16 bytes long.
 Data: <  q&#201;&#246;           > 10 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000250C19923A0, 16 bytes long.
 Data: <p q&#201;&#246;           > 70 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000250C1991BD0, 16 bytes long.
 Data: < &#192;o&#201;&#246;           > 18 C0 6F C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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