Task 38684237

Name test_984-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7078_0
Workunit 31625757
Created 27 Oct 2026, 15:23:16 UTC
Sent 27 Oct 2026, 15:23:22 UTC
Report deadline 1 Nov 2026, 15:23:22 UTC
Received 27 Oct 2026, 17:59:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645421
Run time 2 hours 35 min 29 sec
CPU time 2 hours 30 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,390.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.76 MB
Peak swap size 5.19 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:22:55 (25952): wrapper (7.9.26016): starting
08:22:55 (25952): 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
08:22:56 (25952): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:22:56 (25952): 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\12\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\12\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
10:57:02 (25952): C:/Windows/system32/cmd.exe exited; CPU time 9058.718750
10:57:02 (25952): 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: 167017611 bytes.
Dumping objects ->
{3835203} normal block at 0x000002075F103460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000002075D305330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000002075D305640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x000002075D305250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000002075D305790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x000002075F075410, 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) : {3835115} normal block at 0x000002075D301730, 8 bytes long.
 Data: <  }]    > 00 00 7D 5D 07 02 00 00 
{3833963} normal block at 0x000002075D3018C0, 8 bytes long.
 Data: <&#208;&#166;2]    > D0 A6 32 5D 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002075D2EF710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002075D2F7E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002075D3062F0, 16 bytes long.
 Data: <X\0]            > 58 5C 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002075D305DA0, 16 bytes long.
 Data: <0\0]            > 30 5C 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002075D3009C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002075D306890, 16 bytes long.
 Data: < \0]            > 08 5C 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002075D306930, 16 bytes long.
 Data: <&#224;[0]            > E0 5B 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002075D306570, 16 bytes long.
 Data: <&#184;[0]            > B8 5B 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002075D306A70, 16 bytes long.
 Data: < [0]            > 90 5B 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002075D305480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002075D306C50, 16 bytes long.
 Data: <&#216;&#167;/]            > D8 A7 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002075D300960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002075D3068E0, 16 bytes long.
 Data: <&#176;&#167;/]            > B0 A7 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002075D306340, 16 bytes long.
 Data: < &#167;/]            > 88 A7 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002075D305F80, 16 bytes long.
 Data: <`&#167;/]            > 60 A7 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002075D306840, 16 bytes long.
 Data: <8&#167;/]            > 38 A7 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002075D306CF0, 16 bytes long.
 Data: < &#167;/]            > 10 A7 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002075D306520, 16 bytes long.
 Data: <&#232;&#166;/]            > E8 A6 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002075D3006C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002075D306BB0, 16 bytes long.
 Data: <&#192;&#166;/]            > C0 A6 2F 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002075D2FA6C0, 320 bytes long.
 Data: <&#176;k0]    &#192; 0]    > B0 6B 30 5D 07 02 00 00 C0 06 30 5D 07 02 00 00 
{277} normal block at 0x000002075D3065C0, 16 bytes long.
 Data: <p[0]            > 70 5B 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002075D305F30, 16 bytes long.
 Data: <H[0]            > 48 5B 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002075D300360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002075D3063E0, 16 bytes long.
 Data: < [0]            > 20 5B 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002075D300900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002075D306B60, 16 bytes long.
 Data: <hZ0]            > 68 5A 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002075D3067F0, 16 bytes long.
 Data: <@Z0]            > 40 5A 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002075D306660, 16 bytes long.
 Data: < Z0]            > 18 5A 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002075D3067A0, 16 bytes long.
 Data: <&#240;Y0]            > F0 59 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002075D305E40, 16 bytes long.
 Data: <&#200;Y0]            > C8 59 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002075D301C80, 16 bytes long.
 Data: <&#160;Y0]            > A0 59 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002075D301B40, 16 bytes long.
 Data: <&#208;U0]            > D0 55 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002075D3055D0, 40 bytes long.
 Data: <@ 0]     T _    > 40 1B 30 5D 07 02 00 00 10 54 07 5F 07 02 00 00 
{263} normal block at 0x000002075D301AF0, 16 bytes long.
 Data: < Y0]            > 80 59 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002075D3014B0, 16 bytes long.
 Data: <XY0]            > 58 59 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002075D300540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002075D301500, 16 bytes long.
 Data: <0Y0]            > 30 59 30 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002075D305930, 992 bytes long.
 Data: <  0]    @ 0]    > 00 15 30 5D 07 02 00 00 40 05 30 5D 07 02 00 00 
{95} normal block at 0x000002075D300300, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002075D301190, 16 bytes long.
 Data: <&#176;&#210;.]            > B0 D2 2E 5D 07 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002075D2ED2B0, 40 bytes long.
 Data: <  0]      0]    > 90 11 30 5D 07 02 00 00 00 03 30 5D 07 02 00 00 
{72} normal block at 0x000002075D301D20, 16 bytes long.
 Data: < &#234; t&#247;           > 80 EA 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002075D301C30, 16 bytes long.
 Data: <@&#233; t&#247;           > 40 E9 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002075D301A00, 16 bytes long.
 Data: <&#248;W t&#247;           > F8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002075D301050, 16 bytes long.
 Data: <&#216;W t&#247;           > D8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002075D301280, 16 bytes long.
 Data: <P  t&#247;           > 50 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002075D301870, 16 bytes long.
 Data: <0  t&#247;           > 30 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002075D300E20, 16 bytes long.
 Data: <&#224;  t&#247;           > E0 02 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002075D3016E0, 16 bytes long.
 Data: <   t&#247;           > 10 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002075D301230, 16 bytes long.
 Data: <p  t&#247;           > 70 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002075D301140, 16 bytes long.
 Data: < &#192; t&#247;           > 18 C0 0D 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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