Task 38683902

Name test_257-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3669_0
Workunit 31625440
Created 27 Oct 2026, 13:52:13 UTC
Sent 27 Oct 2026, 13:52:17 UTC
Report deadline 1 Nov 2026, 13:52:17 UTC
Received 27 Oct 2026, 14:18:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631621
Run time 23 min 31 sec
CPU time 23 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.09 MB
Peak swap size 11.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:53:37 (9432): wrapper (7.9.26016): starting
08:53:37 (9432): 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
08:53:38 (9432): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:53:38 (9432): 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
09:17:57 (9432): C:/Windows/system32/cmd.exe exited; CPU time 1411.265625
09:17:57 (9432): 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: 28342869 bytes.
Dumping objects ->
{3835207} normal block at 0x0000013DE81B99C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000013DE81B9B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000013DE81B9410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x0000013DE81B9950, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000013DE81B9F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x0000013DE9E9A760, 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) : {3835119} normal block at 0x0000013DE818CAA0, 8 bytes long.
 Data: <   &#232;=   > 00 00 14 E8 3D 01 00 00 
{3833961} normal block at 0x0000013DE818C050, 8 bytes long.
 Data: <p&#227;&#223;&#233;=   > 70 E3 DF E9 3D 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000013DE8185C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013DE818D980, 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 0x0000013DE8192C60, 16 bytes long.
 Data: < ? &#232;=           > 88 3F 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013DE8193700, 16 bytes long.
 Data: <`? &#232;=           > 60 3F 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013DE818EDE0, 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 0x0000013DE8193750, 16 bytes long.
 Data: <8? &#232;=           > 38 3F 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013DE8192D50, 16 bytes long.
 Data: < ? &#232;=           > 10 3F 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013DE81930C0, 16 bytes long.
 Data: <&#232;> &#232;=           > E8 3E 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013DE8192FD0, 16 bytes long.
 Data: <&#192;> &#232;=           > C0 3E 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013DE8191130, 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 0x0000013DE8193200, 16 bytes long.
 Data: < &#184; &#232;=           > 08 B8 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013DE818E720, 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 0x0000013DE8192F80, 16 bytes long.
 Data: <&#224;&#183; &#232;=           > E0 B7 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013DE8193520, 16 bytes long.
 Data: <&#184;&#183; &#232;=           > B8 B7 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013DE8192940, 16 bytes long.
 Data: < &#183; &#232;=           > 90 B7 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013DE81937F0, 16 bytes long.
 Data: <h&#183; &#232;=           > 68 B7 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013DE8192EE0, 16 bytes long.
 Data: <@&#183; &#232;=           > 40 B7 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013DE81936B0, 16 bytes long.
 Data: < &#183; &#232;=           > 18 B7 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013DE818E8A0, 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 0x0000013DE8192F30, 16 bytes long.
 Data: <&#240;&#182; &#232;=           > F0 B6 17 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013DE817B6F0, 320 bytes long.
 Data: <0/ &#232;=   &#160;&#232; &#232;=   > 30 2F 19 E8 3D 01 00 00 A0 E8 18 E8 3D 01 00 00 
{276} normal block at 0x0000013DE8192A30, 16 bytes long.
 Data: <&#160;> &#232;=           > A0 3E 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013DE81935C0, 16 bytes long.
 Data: <x> &#232;=           > 78 3E 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013DE818E000, 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 0x0000013DE8192C10, 16 bytes long.
 Data: <P> &#232;=           > 50 3E 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013DE818E780, 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 0x0000013DE8193660, 16 bytes long.
 Data: < = &#232;=           > 98 3D 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013DE8193070, 16 bytes long.
 Data: <p= &#232;=           > 70 3D 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013DE81933E0, 16 bytes long.
 Data: <H= &#232;=           > 48 3D 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013DE8192E90, 16 bytes long.
 Data: < = &#232;=           > 20 3D 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013DE8193610, 16 bytes long.
 Data: <&#248;< &#232;=           > F8 3C 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013DE81928F0, 16 bytes long.
 Data: <&#208;< &#232;=           > D0 3C 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013DE8192AD0, 16 bytes long.
 Data: <&#240;  &#232;=           > F0 12 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013DE81912F0, 40 bytes long.
 Data: <&#208;* &#232;=   `&#167;&#233;&#233;=   > D0 2A 19 E8 3D 01 00 00 60 A7 E9 E9 3D 01 00 00 
{262} normal block at 0x0000013DE8193020, 16 bytes long.
 Data: <&#176;< &#232;=           > B0 3C 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013DE8192E40, 16 bytes long.
 Data: < < &#232;=           > 88 3C 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013DE818E540, 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 0x0000013DE8192D00, 16 bytes long.
 Data: <`< &#232;=           > 60 3C 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013DE8193C60, 992 bytes long.
 Data: < - &#232;=   @&#229; &#232;=   > 00 2D 19 E8 3D 01 00 00 40 E5 18 E8 3D 01 00 00 
{94} normal block at 0x0000013DE818EA20, 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 0x0000013DE818CBE0, 16 bytes long.
 Data: <p  &#232;=           > 70 16 19 E8 3D 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000013DE8191670, 40 bytes long.
 Data: <&#224;&#203; &#232;=    &#234; &#232;=   > E0 CB 18 E8 3D 01 00 00 20 EA 18 E8 3D 01 00 00 
{71} normal block at 0x0000013DE818BF10, 16 bytes long.
 Data: < &#234;L &#246;           > 80 EA 4C 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013DE818C140, 16 bytes long.
 Data: <@&#233;L &#246;           > 40 E9 4C 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013DE818CCD0, 16 bytes long.
 Data: <&#248;WI &#246;           > F8 57 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013DE818C9B0, 16 bytes long.
 Data: <&#216;WI &#246;           > D8 57 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013DE818C550, 16 bytes long.
 Data: <P I &#246;           > 50 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013DE818C960, 16 bytes long.
 Data: <0 I &#246;           > 30 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013DE818CA50, 16 bytes long.
 Data: <&#224; I &#246;           > E0 02 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013DE818CB40, 16 bytes long.
 Data: <  I &#246;           > 10 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013DE818C320, 16 bytes long.
 Data: <p I &#246;           > 70 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013DE818C5F0, 16 bytes long.
 Data: < &#192;G &#246;           > 18 C0 47 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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