Task 38672268

Name test_631-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND0730_0
Workunit 31614427
Created 25 Oct 2026, 22:55:12 UTC
Sent 25 Oct 2026, 22:55:17 UTC
Report deadline 30 Oct 2026, 22:55:17 UTC
Received 25 Oct 2026, 23:25:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 29 min 33 sec
CPU time 28 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.63 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
23:56:29 (15904): wrapper (7.9.26016): starting
23:56:29 (15904): 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
23:56:30 (15904): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:56:30 (15904): 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
00:25:04 (15904): C:/Windows/system32/cmd.exe exited; CPU time 1681.437500
00:25:04 (15904): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 33512147 bytes.
Dumping objects ->
{3835262} normal block at 0x00000152320DA9F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x00000152320DB080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000152320DB7F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x00000152320DABB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000152320DAAD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x0000015233D9CB90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x00000152320AFB70, 8 bytes long.
 Data: <  `2R   > 00 00 60 32 52 01 00 00 
{3833967} normal block at 0x00000152320AF490, 8 bytes long.
 Data: <@x&#223;3R   > 40 78 DF 33 52 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000152320B3120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000152320A7A10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000152320B7D40, 16 bytes long.
 Data: <&#184;&#135; 2R           > B8 87 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000152320B7F20, 16 bytes long.
 Data: < &#135; 2R           > 90 87 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000152320B2710, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000152320B7CA0, 16 bytes long.
 Data: <h&#135; 2R           > 68 87 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000152320B8240, 16 bytes long.
 Data: <@&#135; 2R           > 40 87 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000152320B7C50, 16 bytes long.
 Data: < &#135; 2R           > 18 87 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000152320B8100, 16 bytes long.
 Data: <&#240;&#134; 2R           > F0 86 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000152320B5D50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000152320B7C00, 16 bytes long.
 Data: <   2R           > 98 04 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000152320B1CF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000152320B7BB0, 16 bytes long.
 Data: <p  2R           > 70 04 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000152320B8010, 16 bytes long.
 Data: <H  2R           > 48 04 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000152320B7B60, 16 bytes long.
 Data: <   2R           > 20 04 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000152320B77F0, 16 bytes long.
 Data: <&#248;  2R           > F8 03 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000152320B77A0, 16 bytes long.
 Data: <&#208;  2R           > D0 03 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000152320B8150, 16 bytes long.
 Data: <&#168;  2R           > A8 03 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000152320B24D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000152320B7B10, 16 bytes long.
 Data: <   2R           > 80 03 0A 32 52 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000152320A0380, 320 bytes long.
 Data: < { 2R   &#208;$ 2R   > 10 7B 0B 32 52 01 00 00 D0 24 0B 32 52 01 00 00 
{279} normal block at 0x00000152320B81F0, 16 bytes long.
 Data: <&#208;&#134; 2R           > D0 86 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000152320B7840, 16 bytes long.
 Data: <&#168;&#134; 2R           > A8 86 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000152320B20B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000152320B7AC0, 16 bytes long.
 Data: < &#134; 2R           > 80 86 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000152320B21D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000152320B8420, 16 bytes long.
 Data: <&#200;&#133; 2R           > C8 85 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000152320B7FC0, 16 bytes long.
 Data: <&#160;&#133; 2R           > A0 85 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000152320B7CF0, 16 bytes long.
 Data: <x&#133; 2R           > 78 85 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000152320B7A20, 16 bytes long.
 Data: <P&#133; 2R           > 50 85 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000152320B80B0, 16 bytes long.
 Data: <(&#133; 2R           > 28 85 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000152320B74D0, 16 bytes long.
 Data: < &#133; 2R           > 00 85 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000152320B7E30, 16 bytes long.
 Data: < _ 2R           > 80 5F 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000152320B5F80, 40 bytes long.
 Data: <0~ 2R    &#203;&#217;3R   > 30 7E 0B 32 52 01 00 00 90 CB D9 33 52 01 00 00 
{265} normal block at 0x00000152320B76B0, 16 bytes long.
 Data: <&#224;&#132; 2R           > E0 84 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000152320B7A70, 16 bytes long.
 Data: <&#184;&#132; 2R           > B8 84 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000152320B1AB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000152320B79D0, 16 bytes long.
 Data: < &#132; 2R           > 90 84 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000152320B8490, 992 bytes long.
 Data: <&#208;y 2R   &#176;  2R   > D0 79 0B 32 52 01 00 00 B0 1A 0B 32 52 01 00 00 
{97} normal block at 0x00000152320B1A50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000152320AFF30, 16 bytes long.
 Data: < _ 2R           > 10 5F 0B 32 52 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000152320B5F10, 40 bytes long.
 Data: <0&#255; 2R   P  2R   > 30 FF 0A 32 52 01 00 00 50 1A 0B 32 52 01 00 00 
{74} normal block at 0x00000152320AFE90, 16 bytes long.
 Data: < &#234;OD&#247;           > 80 EA 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000152320AFAD0, 16 bytes long.
 Data: <@&#233;OD&#247;           > 40 E9 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000152320AF580, 16 bytes long.
 Data: <&#248;WLD&#247;           > F8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000152320AF9E0, 16 bytes long.
 Data: <&#216;WLD&#247;           > D8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000152320AF350, 16 bytes long.
 Data: <P LD&#247;           > 50 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000152320AFE40, 16 bytes long.
 Data: <0 LD&#247;           > 30 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000152320AF7B0, 16 bytes long.
 Data: <&#224; LD&#247;           > E0 02 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000152320AF6C0, 16 bytes long.
 Data: <  LD&#247;           > 10 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000152320AF5D0, 16 bytes long.
 Data: <p LD&#247;           > 70 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000152320AFF80, 16 bytes long.
 Data: < &#192;JD&#247;           > 18 C0 4A 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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