Task 38655661

Name test_810-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND7623_0
Workunit 31599414
Created 24 Oct 2026, 9:48:16 UTC
Sent 24 Oct 2026, 9:48:26 UTC
Report deadline 29 Oct 2026, 9:48:26 UTC
Received 24 Oct 2026, 10:17:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647482
Run time 27 min 7 sec
CPU time 23 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,850.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.59 MB
Peak swap size 6.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:50:09 (24296): wrapper (7.9.26016): starting
11:50:09 (24296): 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
11:50:11 (24296): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:50:11 (24296): 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
12:16:13 (24296): C:/Windows/system32/cmd.exe exited; CPU time 1419.250000
12:16:13 (24296): 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: 24107133 bytes.
Dumping objects ->
{3835197} normal block at 0x0000023818C9D000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000023818C9D3F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000023818C9C6D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x0000023816F54C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000023816F54BF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x0000023818CE82C0, 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) : {3835109} normal block at 0x0000023816F4F8D0, 8 bytes long.
 Data: <  F 8   > 00 00 46 17 38 02 00 00 
{3833961} normal block at 0x0000023816F4FDD0, 8 bytes long.
 Data: <0.&#215; 8   > 30 2E D7 18 38 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023816F46380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023816F473A0, 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 0x0000023816F559B0, 16 bytes long.
 Data: <&#248;f&#245; 8           > F8 66 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023816F56220, 16 bytes long.
 Data: <&#208;f&#245; 8           > D0 66 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023816F51490, 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 0x0000023816F55EB0, 16 bytes long.
 Data: <&#168;f&#245; 8           > A8 66 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023816F55910, 16 bytes long.
 Data: < f&#245; 8           > 80 66 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023816F55F50, 16 bytes long.
 Data: <Xf&#245; 8           > 58 66 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023816F55730, 16 bytes long.
 Data: <0f&#245; 8           > 30 66 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023816F54640, 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 0x0000023816F55FF0, 16 bytes long.
 Data: <&#168;&#241;&#243; 8           > A8 F1 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023816F50D10, 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 0x0000023816F55E60, 16 bytes long.
 Data: < &#241;&#243; 8           > 80 F1 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023816F56310, 16 bytes long.
 Data: <X&#241;&#243; 8           > 58 F1 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023816F555A0, 16 bytes long.
 Data: <0&#241;&#243; 8           > 30 F1 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023816F56040, 16 bytes long.
 Data: < &#241;&#243; 8           > 08 F1 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023816F55E10, 16 bytes long.
 Data: <&#224;&#240;&#243; 8           > E0 F0 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023816F55B40, 16 bytes long.
 Data: <&#184;&#240;&#243; 8           > B8 F0 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023816F512B0, 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 0x0000023816F55AF0, 16 bytes long.
 Data: < &#240;&#243; 8           > 90 F0 F3 16 38 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023816F3F090, 320 bytes long.
 Data: <&#240;Z&#245; 8   &#176; &#245; 8   > F0 5A F5 16 38 02 00 00 B0 12 F5 16 38 02 00 00 
{276} normal block at 0x0000023816F557D0, 16 bytes long.
 Data: < f&#245; 8           > 10 66 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023816F55500, 16 bytes long.
 Data: <&#232;e&#245; 8           > E8 65 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023816F50890, 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 0x0000023816F55960, 16 bytes long.
 Data: <&#192;e&#245; 8           > C0 65 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023816F50F50, 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 0x0000023816F55DC0, 16 bytes long.
 Data: < e&#245; 8           > 08 65 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023816F56180, 16 bytes long.
 Data: <&#224;d&#245; 8           > E0 64 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023816F561D0, 16 bytes long.
 Data: <&#184;d&#245; 8           > B8 64 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023816F556E0, 16 bytes long.
 Data: < d&#245; 8           > 90 64 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023816F55460, 16 bytes long.
 Data: <hd&#245; 8           > 68 64 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023816F55D70, 16 bytes long.
 Data: <@d&#245; 8           > 40 64 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023816F55690, 16 bytes long.
 Data: < G&#245; 8           > 20 47 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023816F54720, 40 bytes long.
 Data: < V&#245; 8   &#192;&#130;&#206; 8   > 90 56 F5 16 38 02 00 00 C0 82 CE 18 38 02 00 00 
{262} normal block at 0x0000023816F55A00, 16 bytes long.
 Data: < d&#245; 8           > 20 64 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023816F55550, 16 bytes long.
 Data: <&#248;c&#245; 8           > F8 63 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023816F51070, 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 0x0000023816F55D20, 16 bytes long.
 Data: <&#208;c&#245; 8           > D0 63 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023816F563D0, 992 bytes long.
 Data: < ]&#245; 8   p &#245; 8   > 20 5D F5 16 38 02 00 00 70 10 F5 16 38 02 00 00 
{94} normal block at 0x0000023816F509B0, 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 0x0000023816F50410, 16 bytes long.
 Data: <&#208;E&#245; 8           > D0 45 F5 16 38 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023816F545D0, 40 bytes long.
 Data: <  &#245; 8   &#176;	&#245; 8   > 10 04 F5 16 38 02 00 00 B0 09 F5 16 38 02 00 00 
{71} normal block at 0x0000023816F501E0, 16 bytes long.
 Data: < &#234; &#251;&#247;           > 80 EA 03 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023816F4F7E0, 16 bytes long.
 Data: <@&#233; &#251;&#247;           > 40 E9 03 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023816F4FFB0, 16 bytes long.
 Data: <&#248;W &#251;&#247;           > F8 57 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023816F4F790, 16 bytes long.
 Data: <&#216;W &#251;&#247;           > D8 57 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023816F50550, 16 bytes long.
 Data: <P  &#251;&#247;           > 50 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023816F4FBF0, 16 bytes long.
 Data: <0  &#251;&#247;           > 30 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023816F4FA10, 16 bytes long.
 Data: <&#224;  &#251;&#247;           > E0 02 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023816F50230, 16 bytes long.
 Data: <   &#251;&#247;           > 10 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023816F50500, 16 bytes long.
 Data: <p  &#251;&#247;           > 70 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023816F4FE70, 16 bytes long.
 Data: < &#192;&#254;&#250;&#247;           > 18 C0 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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