Task 38685947

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4337_0
Workunit 31627400
Created 27 Oct 2026, 23:48:46 UTC
Sent 27 Oct 2026, 23:48:54 UTC
Report deadline 1 Nov 2026, 23:48:54 UTC
Received 28 Oct 2026, 3:26:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590723
Run time 54 min 19 sec
CPU time 47 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.14 MB
Peak swap size 8.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:32:40 (16460): wrapper (7.9.26016): starting
21:32:40 (16460): 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
21:32:41 (16460): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:32:41 (16460): 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\0\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\0\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
22:26:03 (16460): C:/Windows/system32/cmd.exe exited; CPU time 2848.156250
22:26:03 (16460): 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: 49671547 bytes.
Dumping objects ->
{3835508} normal block at 0x000001E4DC196140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001E4DC1960D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000001E4DC196680, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835475} normal block at 0x000001E4DC196610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001E4DC196530, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835433} normal block at 0x000001E4DDF19D30, 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) : {3835420} normal block at 0x000001E4DC191BB0, 8 bytes long.
 Data: <  U&#220;&#228;   > 00 00 55 DC E4 01 00 00 
{3833967} normal block at 0x000001E4DC191020, 8 bytes long.
 Data: <&#176;&#222; &#220;&#228;   > B0 DE 1B DC E4 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E4DC1991E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001E4DC188F40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001E4DC197220, 16 bytes long.
 Data: <X{ &#220;&#228;           > 58 7B 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E4DC197680, 16 bytes long.
 Data: <0{ &#220;&#228;           > 30 7B 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E4DC192650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001E4DC197310, 16 bytes long.
 Data: < { &#220;&#228;           > 08 7B 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E4DC196A50, 16 bytes long.
 Data: <&#224;z &#220;&#228;           > E0 7A 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E4DC1968C0, 16 bytes long.
 Data: <&#184;z &#220;&#228;           > B8 7A 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E4DC196870, 16 bytes long.
 Data: < z &#220;&#228;           > 90 7A 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E4DC196290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001E4DC196A00, 16 bytes long.
 Data: <&#184;  &#220;&#228;           > B8 20 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E4DC192290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001E4DC1974A0, 16 bytes long.
 Data: <   &#220;&#228;           > 90 20 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E4DC1969B0, 16 bytes long.
 Data: <h  &#220;&#228;           > 68 20 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E4DC1974F0, 16 bytes long.
 Data: <@  &#220;&#228;           > 40 20 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E4DC196B90, 16 bytes long.
 Data: <   &#220;&#228;           > 18 20 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E4DC197590, 16 bytes long.
 Data: <&#240;  &#220;&#228;           > F0 1F 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E4DC196F00, 16 bytes long.
 Data: <&#200;  &#220;&#228;           > C8 1F 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E4DC192E30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001E4DC196CD0, 16 bytes long.
 Data: <&#160;  &#220;&#228;           > A0 1F 18 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E4DC181FA0, 320 bytes long.
 Data: <&#208;l &#220;&#228;   0. &#220;&#228;   > D0 6C 19 DC E4 01 00 00 30 2E 19 DC E4 01 00 00 
{279} normal block at 0x000001E4DC196B40, 16 bytes long.
 Data: <pz &#220;&#228;           > 70 7A 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E4DC196EB0, 16 bytes long.
 Data: <Hz &#220;&#228;           > 48 7A 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E4DC1925F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001E4DC1975E0, 16 bytes long.
 Data: < z &#220;&#228;           > 20 7A 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E4DC1929B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001E4DC196D20, 16 bytes long.
 Data: <hy &#220;&#228;           > 68 79 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E4DC197770, 16 bytes long.
 Data: <@y &#220;&#228;           > 40 79 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E4DC196D70, 16 bytes long.
 Data: < y &#220;&#228;           > 18 79 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E4DC196DC0, 16 bytes long.
 Data: <&#240;x &#220;&#228;           > F0 78 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E4DC196C30, 16 bytes long.
 Data: <&#200;x &#220;&#228;           > C8 78 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E4DC197630, 16 bytes long.
 Data: <&#160;x &#220;&#228;           > A0 78 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E4DC197720, 16 bytes long.
 Data: <&#240;f &#220;&#228;           > F0 66 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E4DC1966F0, 40 bytes long.
 Data: < w &#220;&#228;   0 &#241;&#221;&#228;   > 20 77 19 DC E4 01 00 00 30 9D F1 DD E4 01 00 00 
{265} normal block at 0x000001E4DC196E60, 16 bytes long.
 Data: < x &#220;&#228;           > 80 78 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E4DC1970E0, 16 bytes long.
 Data: <Xx &#220;&#228;           > 58 78 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E4DC192230, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001E4DC196C80, 16 bytes long.
 Data: <0x &#220;&#228;           > 30 78 19 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E4DC197830, 992 bytes long.
 Data: < l &#220;&#228;   0" &#220;&#228;   > 80 6C 19 DC E4 01 00 00 30 22 19 DC E4 01 00 00 
{97} normal block at 0x000001E4DC1922F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001E4DC191AC0, 16 bytes long.
 Data: <&#208;&#218; &#220;&#228;           > D0 DA 17 DC E4 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E4DC17DAD0, 40 bytes long.
 Data: <&#192;  &#220;&#228;   &#240;" &#220;&#228;   > C0 1A 19 DC E4 01 00 00 F0 22 19 DC E4 01 00 00 
{74} normal block at 0x000001E4DC1919D0, 16 bytes long.
 Data: < &#234;&#160;&#176;&#246;           > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E4DC191C50, 16 bytes long.
 Data: <@&#233;&#160;&#176;&#246;           > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E4DC191A70, 16 bytes long.
 Data: <&#248;W &#176;&#246;           > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E4DC191570, 16 bytes long.
 Data: <&#216;W &#176;&#246;           > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E4DC191390, 16 bytes long.
 Data: <P  &#176;&#246;           > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E4DC1918E0, 16 bytes long.
 Data: <0  &#176;&#246;           > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E4DC191B60, 16 bytes long.
 Data: <&#224;  &#176;&#246;           > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E4DC191250, 16 bytes long.
 Data: <   &#176;&#246;           > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E4DC191CA0, 16 bytes long.
 Data: <p  &#176;&#246;           > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E4DC191B10, 16 bytes long.
 Data: < &#192;&#155;&#176;&#246;           > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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