Task 38684648

Name test_799-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4048_1
Workunit 31626127
Created 27 Oct 2026, 17:18:35 UTC
Sent 27 Oct 2026, 17:18:37 UTC
Report deadline 1 Nov 2026, 17:18:37 UTC
Received 27 Oct 2026, 18:43:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 53 min 32 sec
CPU time 47 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.69 MB
Peak swap size 8.42 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:51:55 (3292): wrapper (7.9.26016): starting
10:51:55 (3292): 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
10:51:58 (3292): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:51:58 (3292): 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
11:42:57 (3292): C:/Windows/system32/cmd.exe exited; CPU time 2823.843750
11:42:57 (3292): 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: 58988707 bytes.
Dumping objects ->
{3835458} normal block at 0x00000275FC4F49F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x00000275FC4F4AD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x00000275FC4F5400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x00000275FA6F4EB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x00000275FA6F53F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x00000275FC496520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x00000275FC4AFCB0, 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) : {3835369} normal block at 0x00000275FA6EE0A0, 8 bytes long.
 Data: <  k&#250;u   > 00 00 6B FA 75 02 00 00 
{3834654} normal block at 0x00000275FC4AF7E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000275FA6EE2D0, 8 bytes long.
 Data: <`XR&#252;u   > 60 58 52 FC 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000275FA6F16C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000275FA6E7410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000275FA6F60E0, 16 bytes long.
 Data: <&#184;oo&#250;u           > B8 6F 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000275FA6F5FA0, 16 bytes long.
 Data: < oo&#250;u           > 90 6F 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000275FA6EFF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000275FA6F6C20, 16 bytes long.
 Data: <hoo&#250;u           > 68 6F 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000275FA6F69A0, 16 bytes long.
 Data: <@oo&#250;u           > 40 6F 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000275FA6F6040, 16 bytes long.
 Data: < oo&#250;u           > 18 6F 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000275FA6F62C0, 16 bytes long.
 Data: <&#240;no&#250;u           > F0 6E 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000275FA6F4F20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000275FA6F6540, 16 bytes long.
 Data: <8Zo&#250;u           > 38 5A 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000275FA6F0450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000275FA6F5F50, 16 bytes long.
 Data: < Zo&#250;u           > 10 5A 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000275FA6F6680, 16 bytes long.
 Data: <&#232;Yo&#250;u           > E8 59 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000275FA6F5F00, 16 bytes long.
 Data: <&#192;Yo&#250;u           > C0 59 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000275FA6F6090, 16 bytes long.
 Data: < Yo&#250;u           > 98 59 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000275FA6F6A90, 16 bytes long.
 Data: <pYo&#250;u           > 70 59 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000275FA6F69F0, 16 bytes long.
 Data: <HYo&#250;u           > 48 59 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000275FA6F02D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000275FA6F65E0, 16 bytes long.
 Data: < Yo&#250;u           > 20 59 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000275FA6F5920, 320 bytes long.
 Data: <&#224;eo&#250;u   &#208; o&#250;u   > E0 65 6F FA 75 02 00 00 D0 02 6F FA 75 02 00 00 
{278} normal block at 0x00000275FA6F5CD0, 16 bytes long.
 Data: <&#208;no&#250;u           > D0 6E 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000275FA6F6BD0, 16 bytes long.
 Data: <&#168;no&#250;u           > A8 6E 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000275FA6F0210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000275FA6F6B80, 16 bytes long.
 Data: < no&#250;u           > 80 6E 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000275FA6EF970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000275FA6F6220, 16 bytes long.
 Data: <&#200;mo&#250;u           > C8 6D 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000275FA6F6B30, 16 bytes long.
 Data: <&#160;mo&#250;u           > A0 6D 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000275FA6F68B0, 16 bytes long.
 Data: <xmo&#250;u           > 78 6D 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000275FA6F6900, 16 bytes long.
 Data: <Pmo&#250;u           > 50 6D 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000275FA6F6AE0, 16 bytes long.
 Data: <(mo&#250;u           > 28 6D 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000275FA6F6A40, 16 bytes long.
 Data: < mo&#250;u           > 00 6D 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000275FA6F6720, 16 bytes long.
 Data: <&#224;Po&#250;u           > E0 50 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000275FA6F50E0, 40 bytes long.
 Data: < go&#250;u    eI&#252;u   > 20 67 6F FA 75 02 00 00 20 65 49 FC 75 02 00 00 
{264} normal block at 0x00000275FA6F5D20, 16 bytes long.
 Data: <&#224;lo&#250;u           > E0 6C 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000275FA6F6950, 16 bytes long.
 Data: <&#184;lo&#250;u           > B8 6C 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000275FA6F00F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000275FA6F6630, 16 bytes long.
 Data: < lo&#250;u           > 90 6C 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000275FA6F6C90, 992 bytes long.
 Data: <0fo&#250;u   &#240; o&#250;u   > 30 66 6F FA 75 02 00 00 F0 00 6F FA 75 02 00 00 
{96} normal block at 0x00000275FA6EFF10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000275FA6EE1E0, 16 bytes long.
 Data: < Oo&#250;u           > 90 4F 6F FA 75 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000275FA6F4F90, 40 bytes long.
 Data: <&#224;&#225;n&#250;u    &#255;n&#250;u   > E0 E1 6E FA 75 02 00 00 10 FF 6E FA 75 02 00 00 
{73} normal block at 0x00000275FA6EDF10, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000275FA6EDE70, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000275FA6EE0F0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000275FA6EDBA0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000275FA6EDB50, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000275FA6EDD30, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000275FA6EE140, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000275FA6EE690, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000275FA6EDE20, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000275FA6EDD80, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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