Task 38683806

Name test_823-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6152_0
Workunit 31625351
Created 27 Oct 2026, 13:24:31 UTC
Sent 27 Oct 2026, 13:24:37 UTC
Report deadline 1 Nov 2026, 13:24:37 UTC
Received 27 Oct 2026, 13:54:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 31 sec
CPU time 15 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.41 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
14:40:07 (65912): wrapper (7.9.26016): starting
14:40:07 (65912): 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
14:40:08 (65912): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:40:08 (65912): 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
14:54:33 (65912): C:/Windows/system32/cmd.exe exited; CPU time 931.218750
14:54:33 (65912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 21040846 bytes.
Dumping objects ->
{3835546} normal block at 0x0000021EE7F74CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000021EE7F74BD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000021EE7F74C40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000021EE7F74B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000021EE7F74D20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000021EE9DF6E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000021EE9E0BE00, 85 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) : {3835457} normal block at 0x0000021EE7F6ECE0, 8 bytes long.
 Data: <  K&#232;    > 00 00 4B E8 1E 02 00 00 
{3834685} normal block at 0x0000021EE9E0DC00, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000021EE7F6EA10, 8 bytes long.
 Data: <p&#228;&#208;&#233;    > 70 E4 D0 E9 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021EE7F71610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021EE7F65EC0, 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 0x0000021EE7F75380, 16 bytes long.
 Data: <hf&#247;&#231;            > 68 66 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021EE7F75B00, 16 bytes long.
 Data: <@f&#247;&#231;            > 40 66 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021EE7F70740, 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 0x0000021EE7F75FB0, 16 bytes long.
 Data: < f&#247;&#231;            > 18 66 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021EE7F755B0, 16 bytes long.
 Data: <&#240;e&#247;&#231;            > F0 65 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021EE7F76190, 16 bytes long.
 Data: <&#200;e&#247;&#231;            > C8 65 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021EE7F75A10, 16 bytes long.
 Data: <&#160;e&#247;&#231;            > A0 65 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021EE7F74770, 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 0x0000021EE7F759C0, 16 bytes long.
 Data: < &#181;&#245;&#231;            > 08 B5 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021EE7F702C0, 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 0x0000021EE7F75970, 16 bytes long.
 Data: <&#224;&#180;&#245;&#231;            > E0 B4 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021EE7F76140, 16 bytes long.
 Data: <&#184;&#180;&#245;&#231;            > B8 B4 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021EE7F75510, 16 bytes long.
 Data: < &#180;&#245;&#231;            > 90 B4 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021EE7F75E20, 16 bytes long.
 Data: <h&#180;&#245;&#231;            > 68 B4 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021EE7F75DD0, 16 bytes long.
 Data: <@&#180;&#245;&#231;            > 40 B4 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021EE7F75560, 16 bytes long.
 Data: < &#180;&#245;&#231;            > 18 B4 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021EE7F700E0, 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 0x0000021EE7F75920, 16 bytes long.
 Data: <&#240;&#179;&#245;&#231;            > F0 B3 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021EE7F5B3F0, 320 bytes long.
 Data: < Y&#247;&#231;    &#224; &#247;&#231;    > 20 59 F7 E7 1E 02 00 00 E0 00 F7 E7 1E 02 00 00 
{276} normal block at 0x0000021EE7F75F60, 16 bytes long.
 Data: < e&#247;&#231;            > 80 65 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021EE7F75CE0, 16 bytes long.
 Data: <Xe&#247;&#231;            > 58 65 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021EE7F6FAE0, 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 0x0000021EE7F75470, 16 bytes long.
 Data: <0e&#247;&#231;            > 30 65 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021EE7F6FFC0, 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 0x0000021EE7F761E0, 16 bytes long.
 Data: <xd&#247;&#231;            > 78 64 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021EE7F75AB0, 16 bytes long.
 Data: <Pd&#247;&#231;            > 50 64 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021EE7F75B50, 16 bytes long.
 Data: <(d&#247;&#231;            > 28 64 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021EE7F762D0, 16 bytes long.
 Data: < d&#247;&#231;            > 00 64 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021EE7F758D0, 16 bytes long.
 Data: <&#216;c&#247;&#231;            > D8 63 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021EE7F75EC0, 16 bytes long.
 Data: <&#176;c&#247;&#231;            > B0 63 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021EE7F756F0, 16 bytes long.
 Data: <pN&#247;&#231;            > 70 4E F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021EE7F74E70, 40 bytes long.
 Data: <&#240;V&#247;&#231;     n&#223;&#233;    > F0 56 F7 E7 1E 02 00 00 80 6E DF E9 1E 02 00 00 
{262} normal block at 0x0000021EE7F75880, 16 bytes long.
 Data: < c&#247;&#231;            > 90 63 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021EE7F75BF0, 16 bytes long.
 Data: <hc&#247;&#231;            > 68 63 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021EE7F6F900, 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 0x0000021EE7F75420, 16 bytes long.
 Data: <@c&#247;&#231;            > 40 63 F7 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021EE7F76340, 992 bytes long.
 Data: < T&#247;&#231;     &#249;&#246;&#231;    > 20 54 F7 E7 1E 02 00 00 00 F9 F6 E7 1E 02 00 00 
{94} normal block at 0x0000021EE7F701A0, 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 0x0000021EE7F6F780, 16 bytes long.
 Data: <P&#198;&#245;&#231;            > 50 C6 F5 E7 1E 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021EE7F5C650, 40 bytes long.
 Data: < &#247;&#246;&#231;    &#160; &#247;&#231;    > 80 F7 F6 E7 1E 02 00 00 A0 01 F7 E7 1E 02 00 00 
{71} normal block at 0x0000021EE7F6F550, 16 bytes long.
 Data: < &#234;w&#175;&#247;           > 80 EA 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021EE7F6F190, 16 bytes long.
 Data: <@&#233;w&#175;&#247;           > 40 E9 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021EE7F6F280, 16 bytes long.
 Data: <&#248;Wt&#175;&#247;           > F8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021EE7F6E920, 16 bytes long.
 Data: <&#216;Wt&#175;&#247;           > D8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021EE7F6F4B0, 16 bytes long.
 Data: <P t&#175;&#247;           > 50 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021EE7F6EB00, 16 bytes long.
 Data: <0 t&#175;&#247;           > 30 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021EE7F6EA60, 16 bytes long.
 Data: <&#224; t&#175;&#247;           > E0 02 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021EE7F6F0A0, 16 bytes long.
 Data: <  t&#175;&#247;           > 10 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021EE7F6F6E0, 16 bytes long.
 Data: <p t&#175;&#247;           > 70 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021EE7F6EAB0, 16 bytes long.
 Data: < &#192;r&#175;&#247;           > 18 C0 72 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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