Task 38655399

Name test_992-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND0305_0
Workunit 31599154
Created 24 Oct 2026, 9:34:37 UTC
Sent 24 Oct 2026, 9:34:54 UTC
Report deadline 29 Oct 2026, 9:34:54 UTC
Received 24 Oct 2026, 11:07:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630396
Run time 55 min 57 sec
CPU time 50 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,956.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.83 MB
Peak swap size 9.17 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:14:40 (45996): wrapper (7.9.26016): starting
12:14:40 (45996): 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
12:14:42 (45996): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:14:42 (45996): 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\22\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\22\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
13:07:15 (45996): C:/Windows/system32/cmd.exe exited; CPU time 3033.109375
13:07:15 (45996): 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: 59352977 bytes.
Dumping objects ->
{3835467} normal block at 0x00000270B8F07B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000270B8F07AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835445} normal block at 0x00000270B8F07990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835434} normal block at 0x00000270B8F07FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835423} normal block at 0x00000270B8F07E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835392} normal block at 0x00000270BAC5D7B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x00000270BAC6FFA0, 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) : {3835378} normal block at 0x00000270B8EFE580, 8 bytes long.
 Data: <  ;&#185;p   > 00 00 3B B9 70 02 00 00 
{3834657} normal block at 0x00000270BAC703C0, 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 0x00000270B8EFEF80, 8 bytes long.
 Data: <&#176;&#234;&#253;&#184;p   > B0 EA FD B8 70 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000270B8F007D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000270B8EEEF90, 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 0x00000270B8F07410, 16 bytes long.
 Data: <Hx&#240;&#184;p           > 48 78 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000270B8F06B50, 16 bytes long.
 Data: < x&#240;&#184;p           > 20 78 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000270B8EFF780, 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 0x00000270B8F06920, 16 bytes long.
 Data: <&#248;w&#240;&#184;p           > F8 77 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000270B8F07000, 16 bytes long.
 Data: <&#208;w&#240;&#184;p           > D0 77 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000270B8F06880, 16 bytes long.
 Data: <&#168;w&#240;&#184;p           > A8 77 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000270B8F06B00, 16 bytes long.
 Data: < w&#240;&#184;p           > 80 77 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000270B8F07F40, 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 0x00000270B8F06A60, 16 bytes long.
 Data: < &#230;&#238;&#184;p           > 18 E6 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000270B8EFFE40, 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 0x00000270B8F06650, 16 bytes long.
 Data: <&#240;&#229;&#238;&#184;p           > F0 E5 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000270B8F06AB0, 16 bytes long.
 Data: <&#200;&#229;&#238;&#184;p           > C8 E5 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000270B8F06CE0, 16 bytes long.
 Data: <&#160;&#229;&#238;&#184;p           > A0 E5 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000270B8F07230, 16 bytes long.
 Data: <x&#229;&#238;&#184;p           > 78 E5 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000270B8F070F0, 16 bytes long.
 Data: <P&#229;&#238;&#184;p           > 50 E5 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000270B8F073C0, 16 bytes long.
 Data: <(&#229;&#238;&#184;p           > 28 E5 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000270B8EFF960, 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 0x00000270B8F065B0, 16 bytes long.
 Data: < &#229;&#238;&#184;p           > 00 E5 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000270B8EEE500, 320 bytes long.
 Data: <&#176;e&#240;&#184;p   `&#249;&#239;&#184;p   > B0 65 F0 B8 70 02 00 00 60 F9 EF B8 70 02 00 00 
{275} normal block at 0x00000270B8F069C0, 16 bytes long.
 Data: <`w&#240;&#184;p           > 60 77 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000270B8F07320, 16 bytes long.
 Data: <8w&#240;&#184;p           > 38 77 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000270B8EFFDE0, 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 0x00000270B8F07140, 16 bytes long.
 Data: < w&#240;&#184;p           > 10 77 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000270B8F00140, 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 0x00000270B8F06A10, 16 bytes long.
 Data: <Xv&#240;&#184;p           > 58 76 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000270B8F07190, 16 bytes long.
 Data: <0v&#240;&#184;p           > 30 76 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000270B8F06E70, 16 bytes long.
 Data: < v&#240;&#184;p           > 08 76 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000270B8F06BA0, 16 bytes long.
 Data: <&#224;u&#240;&#184;p           > E0 75 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000270B8F06BF0, 16 bytes long.
 Data: <&#184;u&#240;&#184;p           > B8 75 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000270B8F072D0, 16 bytes long.
 Data: < u&#240;&#184;p           > 90 75 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000270B8F066A0, 16 bytes long.
 Data: < &#228;&#238;&#184;p           > 90 E4 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000270B8EEE490, 40 bytes long.
 Data: <&#160;f&#240;&#184;p   &#176;&#215;&#197;&#186;p   > A0 66 F0 B8 70 02 00 00 B0 D7 C5 BA 70 02 00 00 
{261} normal block at 0x00000270B8F06790, 16 bytes long.
 Data: <pu&#240;&#184;p           > 70 75 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000270B8F06740, 16 bytes long.
 Data: <Hu&#240;&#184;p           > 48 75 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000270B8F000E0, 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 0x00000270B8F06600, 16 bytes long.
 Data: < u&#240;&#184;p           > 20 75 F0 B8 70 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000270B8F07520, 992 bytes long.
 Data: < f&#240;&#184;p   &#224; &#240;&#184;p   > 00 66 F0 B8 70 02 00 00 E0 00 F0 B8 70 02 00 00 
{93} normal block at 0x00000270B8EFF840, 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 0x00000270B8EFEAD0, 16 bytes long.
 Data: < &#212;&#238;&#184;p           > 10 D4 EE B8 70 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000270B8EED410, 40 bytes long.
 Data: <&#208;&#234;&#239;&#184;p   @&#248;&#239;&#184;p   > D0 EA EF B8 70 02 00 00 40 F8 EF B8 70 02 00 00 
{70} normal block at 0x00000270B8EFEA80, 16 bytes long.
 Data: < &#234;&#233;&#244;&#247;           > 80 EA E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000270B8EFEB20, 16 bytes long.
 Data: <@&#233;&#233;&#244;&#247;           > 40 E9 E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000270B8EFE530, 16 bytes long.
 Data: <&#248;W&#230;&#244;&#247;           > F8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000270B8EFEA30, 16 bytes long.
 Data: <&#216;W&#230;&#244;&#247;           > D8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000270B8EFECB0, 16 bytes long.
 Data: <P &#230;&#244;&#247;           > 50 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000270B8EFF3E0, 16 bytes long.
 Data: <0 &#230;&#244;&#247;           > 30 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000270B8EFEDF0, 16 bytes long.
 Data: <&#224; &#230;&#244;&#247;           > E0 02 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000270B8EFEFD0, 16 bytes long.
 Data: <  &#230;&#244;&#247;           > 10 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000270B8EFF200, 16 bytes long.
 Data: <p &#230;&#244;&#247;           > 70 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000270B8EFF480, 16 bytes long.
 Data: < &#192;&#228;&#244;&#247;           > 18 C0 E4 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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