Task 38687858

Name test_289-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2745_0
Workunit 31629231
Created 28 Oct 2026, 10:12:56 UTC
Sent 28 Oct 2026, 10:13:11 UTC
Report deadline 2 Nov 2026, 10:13:11 UTC
Received 28 Oct 2026, 10:37:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 48 sec
CPU time 24 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.60 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:14:09 (42504): wrapper (7.9.26016): starting
12:14:09 (42504): 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
12:14:10 (42504): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:14:10 (42504): 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\27\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\27\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
12:37:41 (42504): C:/Windows/system32/cmd.exe exited; CPU time 1490.406250
12:37:41 (42504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 28345485 bytes.
Dumping objects ->
{3835575} normal block at 0x0000023B79569380, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000023B79568C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x0000023B795691C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x0000023B79569700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000023B777B5440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x0000023B7951BA80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000023B7781A4F0, 140 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) : {3835486} normal block at 0x0000023B777AA7A0, 8 bytes long.
 Data: <  ww;   > 00 00 77 77 3B 02 00 00 
{3834707} normal block at 0x0000023B7781A690, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x0000023B777AAE30, 8 bytes long.
 Data: <@&#222;yw;   > 40 DE 79 77 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000023B777B1970, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000023B777A0AC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000023B777B6170, 16 bytes long.
 Data: <8l{w;           > 38 6C 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023B777B60D0, 16 bytes long.
 Data: < l{w;           > 10 6C 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023B777AE8C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000023B777B6030, 16 bytes long.
 Data: <&#232;k{w;           > E8 6B 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023B777B5F40, 16 bytes long.
 Data: <&#192;k{w;           > C0 6B 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023B777B6580, 16 bytes long.
 Data: < k{w;           > 98 6B 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023B777B5A90, 16 bytes long.
 Data: <pk{w;           > 70 6B 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023B777B4D40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000023B777B5CC0, 16 bytes long.
 Data: <  zw;           > 08 8D 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023B777AEB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000023B777B6210, 16 bytes long.
 Data: <&#224;&#140;zw;           > E0 8C 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023B777B68A0, 16 bytes long.
 Data: <&#184;&#140;zw;           > B8 8C 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023B777B6440, 16 bytes long.
 Data: < &#140;zw;           > 90 8C 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023B777B62B0, 16 bytes long.
 Data: <h&#140;zw;           > 68 8C 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023B777B6530, 16 bytes long.
 Data: <@&#140;zw;           > 40 8C 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023B777B6350, 16 bytes long.
 Data: < &#140;zw;           > 18 8C 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023B777AEB00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000023B777B5D60, 16 bytes long.
 Data: <&#240;&#139;zw;           > F0 8B 7A 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023B777A8BF0, 320 bytes long.
 Data: <`]{w;    &#235;zw;   > 60 5D 7B 77 3B 02 00 00 00 EB 7A 77 3B 02 00 00 
{283} normal block at 0x0000023B777B5B30, 16 bytes long.
 Data: <Pk{w;           > 50 6B 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023B777B6080, 16 bytes long.
 Data: <(k{w;           > 28 6B 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B777AEFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000023B777B5EA0, 16 bytes long.
 Data: < k{w;           > 00 6B 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B777AE7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000023B777B6300, 16 bytes long.
 Data: <Hj{w;           > 48 6A 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023B777B6120, 16 bytes long.
 Data: < j{w;           > 20 6A 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023B777B6620, 16 bytes long.
 Data: <&#248;i{w;           > F8 69 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023B777B65D0, 16 bytes long.
 Data: <&#208;i{w;           > D0 69 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B777B63A0, 16 bytes long.
 Data: <&#168;i{w;           > A8 69 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023B777B5A40, 16 bytes long.
 Data: < i{w;           > 80 69 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023B777B59A0, 16 bytes long.
 Data: < O{w;           > 00 4F 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023B777B4F00, 40 bytes long.
 Data: <&#160;Y{w;    &#186;Qy;   > A0 59 7B 77 3B 02 00 00 80 BA 51 79 3B 02 00 00 
{269} normal block at 0x0000023B777B61C0, 16 bytes long.
 Data: <`i{w;           > 60 69 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B777B67B0, 16 bytes long.
 Data: <8i{w;           > 38 69 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023B777AE9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000023B777B5E50, 16 bytes long.
 Data: < i{w;           > 10 69 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023B777B6910, 992 bytes long.
 Data: <P^{w;   &#224;&#233;zw;   > 50 5E 7B 77 3B 02 00 00 E0 E9 7A 77 3B 02 00 00 
{101} normal block at 0x0000023B777AF580, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x0000023B777AA750, 16 bytes long.
 Data: < N{w;           > 20 4E 7B 77 3B 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000023B777B4E20, 40 bytes long.
 Data: <P&#167;zw;    &#245;zw;   > 50 A7 7A 77 3B 02 00 00 80 F5 7A 77 3B 02 00 00 
{78} normal block at 0x0000023B777AA8E0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000023B777AA700, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000023B777AA6B0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000023B777AB560, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000023B777AB2E0, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023B777AAB60, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023B777AB380, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023B777AB150, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023B777AB0B0, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023B777AAA70, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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