Task 38646805

Name test_904-GPUGRID_TEST_ATM_1000_20261023-0-1-RND3459_0
Workunit 31591741
Created 23 Oct 2026, 16:48:10 UTC
Sent 23 Oct 2026, 18:05:46 UTC
Report deadline 28 Oct 2026, 18:05:46 UTC
Received 23 Oct 2026, 20:04:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611806
Run time 50 min 27 sec
CPU time 47 min 31 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.60 MB
Peak swap size 5.21 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:14:38 (22936): wrapper (7.9.26016): starting
14:14:38 (22936): 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
14:14:39 (22936): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:14:39 (22936): 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\2\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\2\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
15:03:48 (22936): C:/Windows/system32/cmd.exe exited; CPU time 2851.671875
15:03:48 (22936): 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: 51227293 bytes.
Dumping objects ->
{3835229} normal block at 0x00000225D425B1D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000225D25C5660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000225D25C55F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x00000225D25C5270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000225D25C5190, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x00000225D4247030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x00000225D425EE20, 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) : {3835140} normal block at 0x00000225D25BF8E0, 8 bytes long.
 Data: <  V&#210;%   > 00 00 56 D2 25 02 00 00 
{3834541} normal block at 0x00000225D425EAB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000225D25BFD90, 8 bytes long.
 Data: < P*&#212;%   > 80 50 2A D4 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000225D25C1B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000225D25B6410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000225D25C5F80, 16 bytes long.
 Data: <Xn\&#210;%           > 58 6E 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000225D25C64D0, 16 bytes long.
 Data: <0n\&#210;%           > 30 6E 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000225D25C0090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000225D25C5C60, 16 bytes long.
 Data: < n\&#210;%           > 08 6E 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000225D25C6480, 16 bytes long.
 Data: <&#224;m\&#210;%           > E0 6D 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000225D25C62F0, 16 bytes long.
 Data: <&#184;m\&#210;%           > B8 6D 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000225D25C5DF0, 16 bytes long.
 Data: < m\&#210;%           > 90 6D 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000225D25C4FD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000225D25C5FD0, 16 bytes long.
 Data: < &#233;Z&#210;%           > 08 E9 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000225D25C0930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000225D25C6890, 16 bytes long.
 Data: <&#224;&#232;Z&#210;%           > E0 E8 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000225D25C6700, 16 bytes long.
 Data: <&#184;&#232;Z&#210;%           > B8 E8 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225D25C6980, 16 bytes long.
 Data: < &#232;Z&#210;%           > 90 E8 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000225D25C65C0, 16 bytes long.
 Data: <h&#232;Z&#210;%           > 68 E8 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000225D25C5DA0, 16 bytes long.
 Data: <@&#232;Z&#210;%           > 40 E8 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000225D25C62A0, 16 bytes long.
 Data: < &#232;Z&#210;%           > 18 E8 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000225D25C0990, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000225D25C6020, 16 bytes long.
 Data: <&#240;&#231;Z&#210;%           > F0 E7 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000225D25AE7F0, 320 bytes long.
 Data: < `\&#210;%    	\&#210;%   > 20 60 5C D2 25 02 00 00 90 09 5C D2 25 02 00 00 
{277} normal block at 0x00000225D25C5C10, 16 bytes long.
 Data: <pm\&#210;%           > 70 6D 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000225D25C6430, 16 bytes long.
 Data: <Hm\&#210;%           > 48 6D 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000225D25C0E70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000225D25C6610, 16 bytes long.
 Data: < m\&#210;%           > 20 6D 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000225D25C0270, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000225D25C5BC0, 16 bytes long.
 Data: <hl\&#210;%           > 68 6C 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000225D25C6AC0, 16 bytes long.
 Data: <@l\&#210;%           > 40 6C 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000225D25C67A0, 16 bytes long.
 Data: < l\&#210;%           > 18 6C 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000225D25C63E0, 16 bytes long.
 Data: <&#240;k\&#210;%           > F0 6B 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000225D25C69D0, 16 bytes long.
 Data: <&#200;k\&#210;%           > C8 6B 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000225D25C6A20, 16 bytes long.
 Data: <&#160;k\&#210;%           > A0 6B 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000225D25C5F30, 16 bytes long.
 Data: <&#176;P\&#210;%           > B0 50 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000225D25C50B0, 40 bytes long.
 Data: <0_\&#210;%   0p$&#212;%   > 30 5F 5C D2 25 02 00 00 30 70 24 D4 25 02 00 00 
{263} normal block at 0x00000225D25C6340, 16 bytes long.
 Data: < k\&#210;%           > 80 6B 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000225D25C5B70, 16 bytes long.
 Data: <Xk\&#210;%           > 58 6B 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000225D25C0E10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000225D25C6390, 16 bytes long.
 Data: <0k\&#210;%           > 30 6B 5C D2 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000225D25C6B30, 992 bytes long.
 Data: < c\&#210;%     \&#210;%   > 90 63 5C D2 25 02 00 00 10 0E 5C D2 25 02 00 00 
{95} normal block at 0x00000225D25C0C90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000225D25BF2F0, 16 bytes long.
 Data: < &#241;Z&#210;%           > 80 F1 5A D2 25 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000225D25AF180, 40 bytes long.
 Data: <&#240;&#242;[&#210;%     \&#210;%   > F0 F2 5B D2 25 02 00 00 90 0C 5C D2 25 02 00 00 
{72} normal block at 0x00000225D25BF570, 16 bytes long.
 Data: < &#234;cX&#247;           > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000225D25BFBB0, 16 bytes long.
 Data: <@&#233;cX&#247;           > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000225D25BF160, 16 bytes long.
 Data: <&#248;W`X&#247;           > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000225D25BF840, 16 bytes long.
 Data: <&#216;W`X&#247;           > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000225D25BFCF0, 16 bytes long.
 Data: <P `X&#247;           > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000225D25BF0C0, 16 bytes long.
 Data: <0 `X&#247;           > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000225D25BF5C0, 16 bytes long.
 Data: <&#224; `X&#247;           > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000225D25BF390, 16 bytes long.
 Data: <  `X&#247;           > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000225D25BF610, 16 bytes long.
 Data: <p `X&#247;           > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000225D25BFC50, 16 bytes long.
 Data: < &#192;^X&#247;           > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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