Task 38683566

Name test_189-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5899_0
Workunit 31625120
Created 27 Oct 2026, 12:21:19 UTC
Sent 27 Oct 2026, 12:21:20 UTC
Report deadline 1 Nov 2026, 12:21:20 UTC
Received 27 Oct 2026, 14:30:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632099
Run time 25 min 46 sec
CPU time 25 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,032.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.33 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:04:40 (14056): wrapper (7.9.26016): starting
15:04:40 (14056): 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
15:04:41 (14056): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:04:41 (14056): 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\9\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\9\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
15:29:38 (14056): C:/Windows/system32/cmd.exe exited; CPU time 1536.796875
15:29:38 (14056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 21175891 bytes.
Dumping objects ->
{3835270} normal block at 0x000002100CDF64F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000002100CDF6330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000002100CDF5E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000002100CDF5840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002100CDF5ED0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000002100EB2BE00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000002100EAB1FB0, 160 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) : {3835181} normal block at 0x000002100CDC6900, 8 bytes long.
 Data: <        > 00 00 80 0E 10 02 00 00 
{3834569} normal block at 0x000002100EAB2250, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002100CDC6540, 8 bytes long.
 Data: < &#198;&#226;     > 00 C6 E2 0C 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002100CDD0FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002100CDB5D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002100CDD2BF0, 16 bytes long.
 Data: < 6&#221;             > 08 36 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002100CDD2330, 16 bytes long.
 Data: <&#224;5&#221;             > E0 35 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002100CDCD200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002100CDD2B50, 16 bytes long.
 Data: <&#184;5&#221;             > B8 35 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002100CDD22E0, 16 bytes long.
 Data: < 5&#221;             > 90 35 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002100CDD2740, 16 bytes long.
 Data: <h5&#221;             > 68 35 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002100CDD26F0, 16 bytes long.
 Data: <@5&#221;             > 40 35 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002100CDCEA30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002100CDD2560, 16 bytes long.
 Data: < ]&#219;             > 18 5D DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002100CDCCD80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002100CDD2510, 16 bytes long.
 Data: <&#240;\&#219;             > F0 5C DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002100CDD2B00, 16 bytes long.
 Data: <&#200;\&#219;             > C8 5C DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002100CDD24C0, 16 bytes long.
 Data: <&#160;\&#219;             > A0 5C DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002100CDD2C90, 16 bytes long.
 Data: <x\&#219;             > 78 5C DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002100CDD2DD0, 16 bytes long.
 Data: <P\&#219;             > 50 5C DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002100CDD21A0, 16 bytes long.
 Data: <(\&#219;             > 28 5C DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002100CDCD020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002100CDD23D0, 16 bytes long.
 Data: < \&#219;             > 00 5C DB 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002100CDB5C00, 320 bytes long.
 Data: <&#208;#&#221;      &#208;&#220;     > D0 23 DD 0C 10 02 00 00 20 D0 DC 0C 10 02 00 00 
{274} normal block at 0x000002100CDD2380, 16 bytes long.
 Data: < 5&#221;             > 20 35 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002100CDD2AB0, 16 bytes long.
 Data: <&#248;4&#221;             > F8 34 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002100CDCCD20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002100CDD2A10, 16 bytes long.
 Data: <&#208;4&#221;             > D0 34 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002100CDCD5C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002100CDD2240, 16 bytes long.
 Data: < 4&#221;             > 18 34 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002100CDD2C40, 16 bytes long.
 Data: <&#240;3&#221;             > F0 33 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002100CDD2470, 16 bytes long.
 Data: <&#200;3&#221;             > C8 33 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002100CDD2880, 16 bytes long.
 Data: <&#160;3&#221;             > A0 33 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002100CDD2420, 16 bytes long.
 Data: <x3&#221;             > 78 33 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002100CDD2E20, 16 bytes long.
 Data: <P3&#221;             > 50 33 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002100CDD2650, 16 bytes long.
 Data: <&#240;&#235;&#220;             > F0 EB DC 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002100CDCEBF0, 40 bytes long.
 Data: <P&&#221;      &#190;&#178;     > 50 26 DD 0C 10 02 00 00 00 BE B2 0E 10 02 00 00 
{260} normal block at 0x000002100CDD29C0, 16 bytes long.
 Data: <03&#221;             > 30 33 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002100CDD2830, 16 bytes long.
 Data: < 3&#221;             > 08 33 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002100CDCD1A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002100CDD25B0, 16 bytes long.
 Data: <&#224;2&#221;             > E0 32 DD 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002100CDD32E0, 992 bytes long.
 Data: <&#176;%&#221;     &#160;&#209;&#220;     > B0 25 DD 0C 10 02 00 00 A0 D1 DC 0C 10 02 00 00 
{92} normal block at 0x000002100CDCD0E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002100CDC6C20, 16 bytes long.
 Data: <&#192;&#233;&#220;             > C0 E9 DC 0C 10 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002100CDCE9C0, 40 bytes long.
 Data: < l&#220;     &#224;&#208;&#220;     > 20 6C DC 0C 10 02 00 00 E0 D0 DC 0C 10 02 00 00 
{69} normal block at 0x000002100CDC7350, 16 bytes long.
 Data: < &#234;&#171;&#191;&#246;           > 80 EA AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002100CDC6A90, 16 bytes long.
 Data: <@&#233;&#171;&#191;&#246;           > 40 E9 AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002100CDC7260, 16 bytes long.
 Data: <&#248;W&#168;&#191;&#246;           > F8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002100CDC68B0, 16 bytes long.
 Data: <&#216;W&#168;&#191;&#246;           > D8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002100CDC6B80, 16 bytes long.
 Data: <P &#168;&#191;&#246;           > 50 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002100CDC6F40, 16 bytes long.
 Data: <0 &#168;&#191;&#246;           > 30 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002100CDC6860, 16 bytes long.
 Data: <&#224; &#168;&#191;&#246;           > E0 02 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002100CDC70D0, 16 bytes long.
 Data: <  &#168;&#191;&#246;           > 10 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002100CDC6EA0, 16 bytes long.
 Data: <p &#168;&#191;&#246;           > 70 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002100CDC6770, 16 bytes long.
 Data: < &#192;&#166;&#191;&#246;           > 18 C0 A6 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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