Task 38682726

Name test_775-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7476_0
Workunit 31624321
Created 27 Oct 2026, 8:51:04 UTC
Sent 27 Oct 2026, 8:51:10 UTC
Report deadline 1 Nov 2026, 8:51:10 UTC
Received 27 Oct 2026, 9:17:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632099
Run time 25 min 50 sec
CPU time 25 min 30 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 729.91 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>
09:52:12 (20784): wrapper (7.9.26016): starting
09:52:12 (20784): 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
09:52:13 (20784): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:52:13 (20784): 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\10\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\10\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
10:17:14 (20784): C:/Windows/system32/cmd.exe exited; CPU time 1530.562500
10:17:14 (20784): 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: 20673309 bytes.
Dumping objects ->
{3835270} normal block at 0x000002418E5C6560, 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 0x000002418E5C61E0, 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 0x000002418E5C5BC0, 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 0x000002418E5C5A70, 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 0x000002418E5C5B50, 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 0x00000241902BC400, 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 0x00000241902147B0, 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 0x000002418E596810, 8 bytes long.
 Data: <  R&#142;A   > 00 00 52 8E 41 02 00 00 
{3834569} normal block at 0x00000241902140B0, 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 0x000002418E597030, 8 bytes long.
 Data: < &#234;g&#142;A   > 90 EA 67 8E 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002418E5A0FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002418E585D80, 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 0x000002418E5A2E20, 16 bytes long.
 Data: < 6Z&#142;A           > 08 36 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002418E5A26A0, 16 bytes long.
 Data: <&#224;5Z&#142;A           > E0 35 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002418E59D4A0, 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 0x000002418E5A2DD0, 16 bytes long.
 Data: <&#184;5Z&#142;A           > B8 35 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002418E5A29C0, 16 bytes long.
 Data: < 5Z&#142;A           > 90 35 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002418E5A1F70, 16 bytes long.
 Data: <h5Z&#142;A           > 68 35 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002418E5A2CE0, 16 bytes long.
 Data: <@5Z&#142;A           > 40 35 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002418E59EA30, 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 0x000002418E5A22E0, 16 bytes long.
 Data: < ]X&#142;A           > 18 5D 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002418E59CE40, 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 0x000002418E5A1F20, 16 bytes long.
 Data: <&#240;\X&#142;A           > F0 5C 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002418E5A28D0, 16 bytes long.
 Data: <&#200;\X&#142;A           > C8 5C 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002418E5A2D80, 16 bytes long.
 Data: <&#160;\X&#142;A           > A0 5C 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002418E5A2880, 16 bytes long.
 Data: <x\X&#142;A           > 78 5C 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002418E5A2C90, 16 bytes long.
 Data: <P\X&#142;A           > 50 5C 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002418E5A2290, 16 bytes long.
 Data: <(\X&#142;A           > 28 5C 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002418E59C900, 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 0x000002418E5A2AB0, 16 bytes long.
 Data: < \X&#142;A           > 00 5C 58 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002418E585C00, 320 bytes long.
 Data: <&#176;*Z&#142;A    &#201;Y&#142;A   > B0 2A 5A 8E 41 02 00 00 00 C9 59 8E 41 02 00 00 
{274} normal block at 0x000002418E5A2240, 16 bytes long.
 Data: < 5Z&#142;A           > 20 35 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002418E5A2C40, 16 bytes long.
 Data: <&#248;4Z&#142;A           > F8 34 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002418E59CC60, 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 0x000002418E5A2600, 16 bytes long.
 Data: <&#208;4Z&#142;A           > D0 34 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002418E59C840, 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 0x000002418E5A2790, 16 bytes long.
 Data: < 4Z&#142;A           > 18 34 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002418E5A2830, 16 bytes long.
 Data: <&#240;3Z&#142;A           > F0 33 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002418E5A27E0, 16 bytes long.
 Data: <&#200;3Z&#142;A           > C8 33 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002418E5A2B00, 16 bytes long.
 Data: <&#160;3Z&#142;A           > A0 33 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002418E5A2A60, 16 bytes long.
 Data: <x3Z&#142;A           > 78 33 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002418E5A21A0, 16 bytes long.
 Data: <P3Z&#142;A           > 50 33 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002418E5A23D0, 16 bytes long.
 Data: <`&#236;Y&#142;A           > 60 EC 59 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002418E59EC60, 40 bytes long.
 Data: <&#208;#Z&#142;A    &#196;+ A   > D0 23 5A 8E 41 02 00 00 00 C4 2B 90 41 02 00 00 
{260} normal block at 0x000002418E5A2A10, 16 bytes long.
 Data: <03Z&#142;A           > 30 33 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002418E5A2100, 16 bytes long.
 Data: < 3Z&#142;A           > 08 33 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002418E59D620, 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 0x000002418E5A25B0, 16 bytes long.
 Data: <&#224;2Z&#142;A           > E0 32 5A 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002418E5A32E0, 992 bytes long.
 Data: <&#176;%Z&#142;A    &#214;Y&#142;A   > B0 25 5A 8E 41 02 00 00 20 D6 59 8E 41 02 00 00 
{92} normal block at 0x000002418E59D440, 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 0x000002418E596A40, 16 bytes long.
 Data: < &#235;Y&#142;A           > 10 EB 59 8E 41 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002418E59EB10, 40 bytes long.
 Data: <@jY&#142;A   @&#212;Y&#142;A   > 40 6A 59 8E 41 02 00 00 40 D4 59 8E 41 02 00 00 
{69} normal block at 0x000002418E597300, 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 0x000002418E596B30, 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 0x000002418E596E50, 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 0x000002418E5969A0, 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 0x000002418E596E00, 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 0x000002418E597080, 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 0x000002418E5970D0, 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 0x000002418E596CC0, 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 0x000002418E5966D0, 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 0x000002418E596630, 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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