Task 38687695

Name test_64-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2835_0
Workunit 31629078
Created 28 Oct 2026, 9:14:49 UTC
Sent 28 Oct 2026, 9:14:53 UTC
Report deadline 2 Nov 2026, 9:14:53 UTC
Received 28 Oct 2026, 9:49:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 33 min 34 sec
CPU time 31 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.20 MB
Peak swap size 6.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
05:16:37 (23104): wrapper (7.9.26016): starting
05:16:37 (23104): 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
05:16:39 (23104): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:16:39 (23104): 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
05:48:57 (23104): C:/Windows/system32/cmd.exe exited; CPU time 1881.656250
05:48:57 (23104): 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: 36475665 bytes.
Dumping objects ->
{3835542} normal block at 0x000001A4735769B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001A473576A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x000001A473576710, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x000001A4735766A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000001A473576470, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x000001A47519B470, 64 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 0x000001A4751AED40, 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) : {3835453} normal block at 0x000001A47356F690, 8 bytes long.
 Data: <  &#145;s&#164;   > 00 00 91 73 A4 01 00 00 
{3834690} normal block at 0x000001A4751AE7C0, 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 0x000001A47356F140, 8 bytes long.
 Data: <&#208;?"u&#164;   > D0 3F 22 75 A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A47356DCE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A473565F80, 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 0x000001A473575DF0, 16 bytes long.
 Data: <&#216;aWs&#164;           > D8 61 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A473575B20, 16 bytes long.
 Data: <&#176;aWs&#164;           > B0 61 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A473570860, 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 0x000001A473575DA0, 16 bytes long.
 Data: < aWs&#164;           > 88 61 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A473575D50, 16 bytes long.
 Data: <`aWs&#164;           > 60 61 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A473575A30, 16 bytes long.
 Data: <8aWs&#164;           > 38 61 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A4735758A0, 16 bytes long.
 Data: < aWs&#164;           > 10 61 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A4735767F0, 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 0x000001A473575260, 16 bytes long.
 Data: <&#232; Vs&#164;           > E8 8F 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A47356FF00, 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 0x000001A4735759E0, 16 bytes long.
 Data: <&#192; Vs&#164;           > C0 8F 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A473575210, 16 bytes long.
 Data: <  Vs&#164;           > 98 8F 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A473575940, 16 bytes long.
 Data: <p Vs&#164;           > 70 8F 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A4735751C0, 16 bytes long.
 Data: <H Vs&#164;           > 48 8F 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A4735756C0, 16 bytes long.
 Data: <  Vs&#164;           > 20 8F 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A4735758F0, 16 bytes long.
 Data: <&#248;&#142;Vs&#164;           > F8 8E 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A4735701A0, 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 0x000001A473575CB0, 16 bytes long.
 Data: <&#208;&#142;Vs&#164;           > D0 8E 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A473568ED0, 320 bytes long.
 Data: <&#176;\Ws&#164;   &#160; Ws&#164;   > B0 5C 57 73 A4 01 00 00 A0 01 57 73 A4 01 00 00 
{275} normal block at 0x000001A473575080, 16 bytes long.
 Data: <&#240;`Ws&#164;           > F0 60 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A473575530, 16 bytes long.
 Data: <&#200;`Ws&#164;           > C8 60 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A473570020, 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 0x000001A473575850, 16 bytes long.
 Data: <&#160;`Ws&#164;           > A0 60 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A473570140, 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 0x000001A4735755D0, 16 bytes long.
 Data: <&#232;_Ws&#164;           > E8 5F 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A4735757B0, 16 bytes long.
 Data: <&#192;_Ws&#164;           > C0 5F 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A473575AD0, 16 bytes long.
 Data: < _Ws&#164;           > 98 5F 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A473575C60, 16 bytes long.
 Data: <p_Ws&#164;           > 70 5F 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A473575800, 16 bytes long.
 Data: <H_Ws&#164;           > 48 5F 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A473575170, 16 bytes long.
 Data: < _Ws&#164;           > 20 5F 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A473575D00, 16 bytes long.
 Data: <&#160;&#203;Us&#164;           > A0 CB 55 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A47355CBA0, 40 bytes long.
 Data: < ]Ws&#164;   p&#180; u&#164;   > 00 5D 57 73 A4 01 00 00 70 B4 19 75 A4 01 00 00 
{261} normal block at 0x000001A473575120, 16 bytes long.
 Data: < _Ws&#164;           > 00 5F 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A473575670, 16 bytes long.
 Data: <&#216;^Ws&#164;           > D8 5E 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A4735703E0, 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 0x000001A473575710, 16 bytes long.
 Data: <&#176;^Ws&#164;           > B0 5E 57 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A473575EB0, 992 bytes long.
 Data: < WWs&#164;   &#224; Ws&#164;   > 10 57 57 73 A4 01 00 00 E0 03 57 73 A4 01 00 00 
{93} normal block at 0x000001A473570200, 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 0x000001A47356FAF0, 16 bytes long.
 Data: <&#224;DVs&#164;           > E0 44 56 73 A4 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001A4735644E0, 40 bytes long.
 Data: <&#240;&#250;Vs&#164;     Ws&#164;   > F0 FA 56 73 A4 01 00 00 00 02 57 73 A4 01 00 00 
{70} normal block at 0x000001A47356F190, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A47356F500, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A47356EE20, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A47356F8C0, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A47356F870, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A47356F820, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A47356F4B0, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A47356FC80, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A47356F410, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A47356FD20, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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