Task 38676548

Name test_709-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1003_0
Workunit 31618454
Created 26 Oct 2026, 11:38:47 UTC
Sent 26 Oct 2026, 11:38:56 UTC
Report deadline 31 Oct 2026, 11:38:56 UTC
Received 26 Oct 2026, 13:35:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 56 min 52 sec
CPU time 44 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.33 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:39:45 (33504): wrapper (7.9.26016): starting
13:39:45 (33504): 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
13:39:47 (33504): Library/usr/bin/tar.exe exited; CPU time 0.031250
13:39:47 (33504): 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
14:35:14 (33504): C:/Windows/system32/cmd.exe exited; CPU time 2651.875000
14:35:14 (33504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 64259685 bytes.
Dumping objects ->
{3835197} normal block at 0x00000175E0CB8540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000175DEFD4D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000175DEFD5030, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x00000175DEFD52D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000175DEFD5260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x00000175E0C675E0, 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) : {3835109} normal block at 0x00000175DEFCF330, 8 bytes long.
 Data: <  C&#223;u   > 00 00 43 DF 75 01 00 00 
{3833961} normal block at 0x00000175DEFCFBF0, 8 bytes long.
 Data: < &#220;&#251;&#222;u   > 10 DC FB DE 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000175DEFD1BA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000175DEFC5DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000175DEFD6040, 16 bytes long.
 Data: <&#200;i&#253;&#222;u           > C8 69 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000175DEFD5C30, 16 bytes long.
 Data: <&#160;i&#253;&#222;u           > A0 69 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000175DEFCD2A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000175DEFD5870, 16 bytes long.
 Data: <xi&#253;&#222;u           > 78 69 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000175DEFD5B90, 16 bytes long.
 Data: <Pi&#253;&#222;u           > 50 69 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000175DEFD5820, 16 bytes long.
 Data: <(i&#253;&#222;u           > 28 69 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000175DEFD57D0, 16 bytes long.
 Data: < i&#253;&#222;u           > 00 69 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000175DEFD4E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000175DEFD5730, 16 bytes long.
 Data: <  &#252;&#222;u           > 08 8F FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000175DEFCD240, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000175DEFD56E0, 16 bytes long.
 Data: <&#224;&#142;&#252;&#222;u           > E0 8E FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000175DEFD5780, 16 bytes long.
 Data: <&#184;&#142;&#252;&#222;u           > B8 8E FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000175DEFD6540, 16 bytes long.
 Data: < &#142;&#252;&#222;u           > 90 8E FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000175DEFD6590, 16 bytes long.
 Data: <h&#142;&#252;&#222;u           > 68 8E FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000175DEFD5EB0, 16 bytes long.
 Data: <@&#142;&#252;&#222;u           > 40 8E FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000175DEFD59B0, 16 bytes long.
 Data: < &#142;&#252;&#222;u           > 18 8E FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000175DEFCDC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000175DEFD62C0, 16 bytes long.
 Data: <&#240; &#252;&#222;u           > F0 8D FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000175DEFC8DF0, 320 bytes long.
 Data: <&#192;b&#253;&#222;u    &#220;&#252;&#222;u   > C0 62 FD DE 75 01 00 00 00 DC FC DE 75 01 00 00 
{276} normal block at 0x00000175DEFD64F0, 16 bytes long.
 Data: <&#224;h&#253;&#222;u           > E0 68 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000175DEFD64A0, 16 bytes long.
 Data: <&#184;h&#253;&#222;u           > B8 68 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000175DEFCDDE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000175DEFD5FF0, 16 bytes long.
 Data: < h&#253;&#222;u           > 90 68 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000175DEFCDD20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000175DEFD5FA0, 16 bytes long.
 Data: <&#216;g&#253;&#222;u           > D8 67 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000175DEFD5F50, 16 bytes long.
 Data: <&#176;g&#253;&#222;u           > B0 67 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000175DEFD5AF0, 16 bytes long.
 Data: < g&#253;&#222;u           > 88 67 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000175DEFD5F00, 16 bytes long.
 Data: <`g&#253;&#222;u           > 60 67 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000175DEFD5C80, 16 bytes long.
 Data: <8g&#253;&#222;u           > 38 67 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000175DEFD6630, 16 bytes long.
 Data: < g&#253;&#222;u           > 10 67 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000175DEFD6400, 16 bytes long.
 Data: <@S&#253;&#222;u           > 40 53 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000175DEFD5340, 40 bytes long.
 Data: < d&#253;&#222;u   &#224;u&#198;&#224;u   > 00 64 FD DE 75 01 00 00 E0 75 C6 E0 75 01 00 00 
{262} normal block at 0x00000175DEFD6450, 16 bytes long.
 Data: <&#240;f&#253;&#222;u           > F0 66 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000175DEFD5BE0, 16 bytes long.
 Data: <&#200;f&#253;&#222;u           > C8 66 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000175DEFCD060, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000175DEFD63B0, 16 bytes long.
 Data: <&#160;f&#253;&#222;u           > A0 66 FD DE 75 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000175DEFD66A0, 992 bytes long.
 Data: <&#176;c&#253;&#222;u   `&#208;&#252;&#222;u   > B0 63 FD DE 75 01 00 00 60 D0 FC DE 75 01 00 00 
{94} normal block at 0x00000175DEFCD840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000175DEFCFB00, 16 bytes long.
 Data: < &#237;&#252;&#222;u           > 80 ED FC DE 75 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000175DEFCED80, 40 bytes long.
 Data: < &#251;&#252;&#222;u   @&#216;&#252;&#222;u   > 00 FB FC DE 75 01 00 00 40 D8 FC DE 75 01 00 00 
{71} normal block at 0x00000175DEFCF470, 16 bytes long.
 Data: < &#234;&#162;$&#246;           > 80 EA A2 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000175DEFCFDD0, 16 bytes long.
 Data: <@&#233;&#162;$&#246;           > 40 E9 A2 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000175DEFCF740, 16 bytes long.
 Data: <&#248;W&#159;$&#246;           > F8 57 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000175DEFD0140, 16 bytes long.
 Data: <&#216;W&#159;$&#246;           > D8 57 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000175DEFCFAB0, 16 bytes long.
 Data: <P &#159;$&#246;           > 50 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000175DEFCF7E0, 16 bytes long.
 Data: <0 &#159;$&#246;           > 30 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000175DEFCFA10, 16 bytes long.
 Data: <&#224; &#159;$&#246;           > E0 02 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000175DEFCFF60, 16 bytes long.
 Data: <  &#159;$&#246;           > 10 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000175DEFCF510, 16 bytes long.
 Data: <p &#159;$&#246;           > 70 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000175DEFCF9C0, 16 bytes long.
 Data: < &#192; $&#246;           > 18 C0 9D 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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