Task 38688482

Name test_511-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5604_0
Workunit 31629830
Created 28 Oct 2026, 14:11:12 UTC
Sent 28 Oct 2026, 14:11:17 UTC
Report deadline 2 Nov 2026, 14:11:17 UTC
Received 28 Oct 2026, 19:04:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652367
Run time 1 hours 33 min 20 sec
CPU time 1 hours 25 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,724.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.74 MB
Peak swap size 13.00 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:34:47 (39608): wrapper (7.9.26016): starting
20:34:47 (39608): 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
20:34:53 (39608): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:34:53 (39608): 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\35\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\35\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
22:03:36 (39608): C:/Windows/system32/cmd.exe exited; CPU time 5153.890625
22:03:36 (39608): 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: 120291145 bytes.
Dumping objects ->
{3835520} normal block at 0x000002D4483D56F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835509} normal block at 0x000002D4483D5680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000002D4483D5290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835487} normal block at 0x000002D4483D5610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000002D4483D55A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835445} normal block at 0x000002D44A1F3EB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x000002D44A20E040, 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) : {3835431} normal block at 0x000002D4483CFE70, 8 bytes long.
 Data: <  &#145;H&#212;   > 00 00 91 48 D4 02 00 00 
{3834688} normal block at 0x000002D44A20E460, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002D4483CF060, 8 bytes long.
 Data: < :(J&#212;   > 80 3A 28 4A D4 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002D4483D12E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002D4483C6070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002D4483D65C0, 16 bytes long.
 Data: <&#232;j=H&#212;           > E8 6A 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002D4483D5990, 16 bytes long.
 Data: <&#192;j=H&#212;           > C0 6A 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D4483CDDE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002D4483D6520, 16 bytes long.
 Data: < j=H&#212;           > 98 6A 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D4483D5FD0, 16 bytes long.
 Data: <pj=H&#212;           > 70 6A 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D4483D6480, 16 bytes long.
 Data: <Hj=H&#212;           > 48 6A 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D4483D5F80, 16 bytes long.
 Data: < j=H&#212;           > 20 6A 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D4483D5450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002D4483D5E90, 16 bytes long.
 Data: <x&#187;;H&#212;           > 78 BB 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D4483CD660, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002D4483D6430, 16 bytes long.
 Data: <P&#187;;H&#212;           > 50 BB 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D4483D5E40, 16 bytes long.
 Data: <(&#187;;H&#212;           > 28 BB 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D4483D5C10, 16 bytes long.
 Data: < &#187;;H&#212;           > 00 BB 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D4483D6570, 16 bytes long.
 Data: <&#216;&#186;;H&#212;           > D8 BA 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D4483D5DF0, 16 bytes long.
 Data: <&#176;&#186;;H&#212;           > B0 BA 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D4483D6340, 16 bytes long.
 Data: < &#186;;H&#212;           > 88 BA 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D4483CD600, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002D4483D6200, 16 bytes long.
 Data: <`&#186;;H&#212;           > 60 BA 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D4483BBA60, 320 bytes long.
 Data: < b=H&#212;    &#214;<H&#212;   > 00 62 3D 48 D4 02 00 00 00 D6 3C 48 D4 02 00 00 
{275} normal block at 0x000002D4483D63E0, 16 bytes long.
 Data: < j=H&#212;           > 00 6A 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D4483D5BC0, 16 bytes long.
 Data: <&#216;i=H&#212;           > D8 69 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D4483CDFC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002D4483D5F30, 16 bytes long.
 Data: <&#176;i=H&#212;           > B0 69 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D4483CDD80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002D4483D5D50, 16 bytes long.
 Data: <&#248;h=H&#212;           > F8 68 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D4483D59E0, 16 bytes long.
 Data: <&#208;h=H&#212;           > D0 68 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D4483D6390, 16 bytes long.
 Data: <&#168;h=H&#212;           > A8 68 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D4483D58A0, 16 bytes long.
 Data: < h=H&#212;           > 80 68 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D4483D5DA0, 16 bytes long.
 Data: <Xh=H&#212;           > 58 68 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D4483D58F0, 16 bytes long.
 Data: <0h=H&#212;           > 30 68 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D4483D5850, 16 bytes long.
 Data: <`P=H&#212;           > 60 50 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D4483D5060, 40 bytes long.
 Data: <PX=H&#212;   &#176;> J&#212;   > 50 58 3D 48 D4 02 00 00 B0 3E 1F 4A D4 02 00 00 
{261} normal block at 0x000002D4483D5CB0, 16 bytes long.
 Data: < h=H&#212;           > 10 68 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D4483D6160, 16 bytes long.
 Data: <&#232;g=H&#212;           > E8 67 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D4483CDC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002D4483D61B0, 16 bytes long.
 Data: <&#192;g=H&#212;           > C0 67 3D 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D4483D67C0, 992 bytes long.
 Data: <&#176;a=H&#212;   `&#220;<H&#212;   > B0 61 3D 48 D4 02 00 00 60 DC 3C 48 D4 02 00 00 
{93} normal block at 0x000002D4483CDCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002D4483CFA10, 16 bytes long.
 Data: <@&#217;;H&#212;           > 40 D9 3B 48 D4 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002D4483BD940, 40 bytes long.
 Data: < &#250;<H&#212;   &#192;&#220;<H&#212;   > 10 FA 3C 48 D4 02 00 00 C0 DC 3C 48 D4 02 00 00 
{70} normal block at 0x000002D4483CFDD0, 16 bytes long.
 Data: < &#234; Z&#247;           > 80 EA 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002D4483CF7E0, 16 bytes long.
 Data: <@&#233; Z&#247;           > 40 E9 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D4483CF790, 16 bytes long.
 Data: <&#248;W Z&#247;           > F8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D4483CFBA0, 16 bytes long.
 Data: <&#216;W Z&#247;           > D8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D4483CF740, 16 bytes long.
 Data: <P  Z&#247;           > 50 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D4483CF100, 16 bytes long.
 Data: <0  Z&#247;           > 30 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D4483CFF60, 16 bytes long.
 Data: <&#224;  Z&#247;           > E0 02 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D4483CF880, 16 bytes long.
 Data: <   Z&#247;           > 10 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D4483CF290, 16 bytes long.
 Data: <p  Z&#247;           > 70 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D4483CF920, 16 bytes long.
 Data: < &#192; Z&#247;           > 18 C0 14 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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