Task 38667575

Name test_710-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND1983_0
Workunit 31610185
Created 25 Oct 2026, 8:33:19 UTC
Sent 25 Oct 2026, 8:33:27 UTC
Report deadline 30 Oct 2026, 8:33:27 UTC
Received 28 Oct 2026, 3:58:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 23 min 52 sec
CPU time 20 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.66 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:35:28 (29092): wrapper (7.9.26016): starting
21:35:28 (29092): 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
21:35:29 (29092): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:35:29 (29092): 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\14\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\14\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
21:58:33 (29092): C:/Windows/system32/cmd.exe exited; CPU time 1230.312500
21:58:33 (29092): 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: 29449251 bytes.
Dumping objects ->
{3835259} normal block at 0x00000234D415D120, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000234D2334C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000234D2334C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x00000234D2334BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x00000234D2334A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x00000234D41AAF10, 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) : {3835171} normal block at 0x00000234D232EA20, 8 bytes long.
 Data: <  &#135;&#210;4   > 00 00 87 D2 34 02 00 00 
{3833961} normal block at 0x00000234D232E9D0, 8 bytes long.
 Data: <`&#235;@&#210;4   > 60 EB 40 D2 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000234D23306D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000234D2325D70, 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 0x00000234D23364F0, 16 bytes long.
 Data: < V3&#210;4           > 88 56 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000234D2336180, 16 bytes long.
 Data: <`V3&#210;4           > 60 56 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000234D232F720, 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 0x00000234D2336310, 16 bytes long.
 Data: <8V3&#210;4           > 38 56 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000234D23362C0, 16 bytes long.
 Data: < V3&#210;4           > 10 56 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000234D2335820, 16 bytes long.
 Data: <&#232;U3&#210;4           > E8 55 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000234D2336590, 16 bytes long.
 Data: <&#192;U3&#210;4           > C0 55 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000234D2334970, 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 0x00000234D23361D0, 16 bytes long.
 Data: <&#232; 2&#210;4           > E8 8F 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000234D2330380, 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 0x00000234D2335D20, 16 bytes long.
 Data: <&#192; 2&#210;4           > C0 8F 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000234D2335A00, 16 bytes long.
 Data: <  2&#210;4           > 98 8F 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000234D2336130, 16 bytes long.
 Data: <p 2&#210;4           > 70 8F 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000234D2335960, 16 bytes long.
 Data: <H 2&#210;4           > 48 8F 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000234D2335AA0, 16 bytes long.
 Data: <  2&#210;4           > 20 8F 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000234D2335CD0, 16 bytes long.
 Data: <&#248;&#142;2&#210;4           > F8 8E 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000234D232FA80, 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 0x00000234D2335E60, 16 bytes long.
 Data: <&#208;&#142;2&#210;4           > D0 8E 32 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000234D2328ED0, 320 bytes long.
 Data: <`^3&#210;4    &#250;2&#210;4   > 60 5E 33 D2 34 02 00 00 80 FA 32 D2 34 02 00 00 
{276} normal block at 0x00000234D23360E0, 16 bytes long.
 Data: <&#160;U3&#210;4           > A0 55 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000234D2336540, 16 bytes long.
 Data: <xU3&#210;4           > 78 55 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000234D23302C0, 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 0x00000234D23366D0, 16 bytes long.
 Data: <PU3&#210;4           > 50 55 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000234D232F7E0, 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 0x00000234D2336270, 16 bytes long.
 Data: < T3&#210;4           > 98 54 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000234D2335B40, 16 bytes long.
 Data: <pT3&#210;4           > 70 54 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000234D2335AF0, 16 bytes long.
 Data: <HT3&#210;4           > 48 54 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000234D23357D0, 16 bytes long.
 Data: < T3&#210;4           > 20 54 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000234D23359B0, 16 bytes long.
 Data: <&#248;S3&#210;4           > F8 53 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000234D232F470, 16 bytes long.
 Data: <&#208;S3&#210;4           > D0 53 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000234D232F010, 16 bytes long.
 Data: <&#240;L3&#210;4           > F0 4C 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000234D2334CF0, 40 bytes long.
 Data: < &#240;2&#210;4    &#175; &#212;4   > 10 F0 32 D2 34 02 00 00 10 AF 1A D4 34 02 00 00 
{262} normal block at 0x00000234D232EDE0, 16 bytes long.
 Data: <&#176;S3&#210;4           > B0 53 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000234D232EC00, 16 bytes long.
 Data: < S3&#210;4           > 88 53 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000234D23300E0, 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 0x00000234D232F330, 16 bytes long.
 Data: <`S3&#210;4           > 60 53 33 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000234D2335360, 992 bytes long.
 Data: <0&#243;2&#210;4   &#224; 3&#210;4   > 30 F3 32 D2 34 02 00 00 E0 00 33 D2 34 02 00 00 
{94} normal block at 0x00000234D2330260, 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 0x00000234D232F3D0, 16 bytes long.
 Data: <&#176;&#238;1&#210;4           > B0 EE 31 D2 34 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000234D231EEB0, 40 bytes long.
 Data: <&#208;&#243;2&#210;4   ` 3&#210;4   > D0 F3 32 D2 34 02 00 00 60 02 33 D2 34 02 00 00 
{71} normal block at 0x00000234D232F060, 16 bytes long.
 Data: < &#234;'s&#247;           > 80 EA 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000234D232EFC0, 16 bytes long.
 Data: <@&#233;'s&#247;           > 40 E9 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000234D232E7A0, 16 bytes long.
 Data: <&#248;W$s&#247;           > F8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000234D232F150, 16 bytes long.
 Data: <&#216;W$s&#247;           > D8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000234D232E750, 16 bytes long.
 Data: <P $s&#247;           > 50 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000234D232E930, 16 bytes long.
 Data: <0 $s&#247;           > 30 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000234D232EF70, 16 bytes long.
 Data: <&#224; $s&#247;           > E0 02 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000234D232EA70, 16 bytes long.
 Data: <  $s&#247;           > 10 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000234D232F100, 16 bytes long.
 Data: <p $s&#247;           > 70 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000234D232EE30, 16 bytes long.
 Data: < &#192;"s&#247;           > 18 C0 22 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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