Task 38664880

Name test_164-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND2868_1
Workunit 31607894
Created 25 Oct 2026, 0:18:32 UTC
Sent 25 Oct 2026, 0:18:58 UTC
Report deadline 30 Oct 2026, 0:18:58 UTC
Received 25 Oct 2026, 2:53:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593343
Run time 1 hours 6 min 48 sec
CPU time 1 hours 2 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.11 MB
Peak swap size 5.24 GB
Peak disk usage 4.21 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:48:03 (56572): wrapper (7.9.26016): starting
10:48:03 (56572): 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
10:48:05 (56572): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:48:05 (56572): 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 'E:\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 'E:\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
11:51:35 (56572): C:/Windows/system32/cmd.exe exited; CPU time 3720.390625
11:51:35 (56572): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 85439861 bytes.
Dumping objects ->
{3835605} normal block at 0x000001BBFA9AAF00, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x000001BBFA984CE0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835583} normal block at 0x000001BBFA984C70, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835572} normal block at 0x000001BBFA985370, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835561} normal block at 0x000001BBFA985140, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835530} normal block at 0x000001BBFC9C7490, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x000001BBFA9DB8B0, 135 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) : {3835516} normal block at 0x000001BBFA97FA20, 8 bytes long.
 Data: <    &#187;   > 00 00 E6 FA BB 01 00 00 
{3834770} normal block at 0x000001BBFA9DB640, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834037} normal block at 0x000001BBFA97EE90, 8 bytes long.
 Data: < F&#162; &#187;   > F0 46 A2 FC BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001BBFA97DD10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BBFA976410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001BBFA986700, 16 bytes long.
 Data: < m  &#187;           > 18 6D 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BBFA986390, 16 bytes long.
 Data: < l  &#187;           > F0 6C 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BBFA984560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001BBFA9866B0, 16 bytes long.
 Data: <&#200;l  &#187;           > C8 6C 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BBFA985C10, 16 bytes long.
 Data: < l  &#187;           > A0 6C 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BBFA986570, 16 bytes long.
 Data: <xl  &#187;           > 78 6C 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BBFA985F30, 16 bytes long.
 Data: <Pl  &#187;           > 50 6C 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BBFA984FF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001BBFA9867A0, 16 bytes long.
 Data: <&#184;   &#187;           > B8 93 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BBFA9842C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001BBFA9863E0, 16 bytes long.
 Data: <    &#187;           > 90 93 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BBFA9865C0, 16 bytes long.
 Data: <h   &#187;           > 68 93 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BBFA985BC0, 16 bytes long.
 Data: <@   &#187;           > 40 93 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BBFA986340, 16 bytes long.
 Data: <    &#187;           > 18 93 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BBFA985B70, 16 bytes long.
 Data: <    &#187;           > F0 92 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BBFA9862A0, 16 bytes long.
 Data: <&#200;   &#187;           > C8 92 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BBFA984500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001BBFA985DA0, 16 bytes long.
 Data: <    &#187;           > A0 92 97 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BBFA9792A0, 320 bytes long.
 Data: < ]  &#187;    E  &#187;   > A0 5D 98 FA BB 01 00 00 00 45 98 FA BB 01 00 00 
{271} normal block at 0x000001BBFA9861B0, 16 bytes long.
 Data: <0l  &#187;           > 30 6C 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BBFA985C60, 16 bytes long.
 Data: < l  &#187;           > 08 6C 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BBFA9840E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001BBFA985D00, 16 bytes long.
 Data: < k  &#187;           > E0 6B 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BBFA983F00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001BBFA986250, 16 bytes long.
 Data: <(k  &#187;           > 28 6B 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BBFA9867F0, 16 bytes long.
 Data: < k  &#187;           > 00 6B 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BBFA985DF0, 16 bytes long.
 Data: <&#216;j  &#187;           > D8 6A 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BBFA986750, 16 bytes long.
 Data: <&#176;j  &#187;           > B0 6A 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BBFA985E40, 16 bytes long.
 Data: < j  &#187;           > 88 6A 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BBFA9868E0, 16 bytes long.
 Data: <`j  &#187;           > 60 6A 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BBFA985D50, 16 bytes long.
 Data: < R  &#187;           > 20 52 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BBFA985220, 40 bytes long.
 Data: <P]  &#187;    t  &#187;   > 50 5D 98 FA BB 01 00 00 90 74 9C FC BB 01 00 00 
{257} normal block at 0x000001BBFA985F80, 16 bytes long.
 Data: <@j  &#187;           > 40 6A 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BBFA985FD0, 16 bytes long.
 Data: < j  &#187;           > 18 6A 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BBFA9845C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001BBFA986160, 16 bytes long.
 Data: < i  &#187;           > F0 69 98 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001BBFA9869F0, 992 bytes long.
 Data: <`a  &#187;   &#192;E  &#187;   > 60 61 98 FA BB 01 00 00 C0 45 98 FA BB 01 00 00 
{89} normal block at 0x000001BBFA984B60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001BBFA97FB60, 16 bytes long.
 Data: <    &#187;           > 80 F0 96 FA BB 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001BBFA96F080, 40 bytes long.
 Data: <`   &#187;   `K  &#187;   > 60 FB 97 FA BB 01 00 00 60 4B 98 FA BB 01 00 00 
{64} normal block at 0x000001BBFA97F480, 16 bytes long.
 Data: <   &#214;            > 80 EA 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BBFA97F2A0, 16 bytes long.
 Data: <@  &#214;            > 40 E9 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BBFA97F020, 16 bytes long.
 Data: < W &#214;            > F8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BBFA97EDF0, 16 bytes long.
 Data: <&#216;W &#214;            > D8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BBFA97F0C0, 16 bytes long.
 Data: <P  &#214;            > 50 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BBFA97EE40, 16 bytes long.
 Data: <0  &#214;            > 30 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001BBFA97F4D0, 16 bytes long.
 Data: <   &#214;            > E0 02 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001BBFA97F200, 16 bytes long.
 Data: <   &#214;            > 10 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001BBFA97F520, 16 bytes long.
 Data: <p  &#214;            > 70 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001BBFA97FB10, 16 bytes long.
 Data: < &#192; &#214;            > 18 C0 98 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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