Task 38693055
| Name | test_345-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9543_2 |
| Workunit | 31609674 |
| Created | 30 Oct 2026, 5:47:57 UTC |
| Sent | 30 Oct 2026, 5:48:02 UTC |
| Report deadline | 4 Nov 2026, 5:48:02 UTC |
| Received | 30 Oct 2026, 8:34:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654688 |
| Run time | 54 min 30 sec |
| CPU time | 50 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,587.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 651.99 MB |
| Peak swap size | 3.84 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
08:40:05 (14220): wrapper (7.9.26016): starting
08:40:05 (14220): 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
08:40:07 (14220): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:40:07 (14220): 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
09:32:53 (14220): C:/Windows/system32/cmd.exe exited; CPU time 3027.218750
09:32:53 (14220): 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: 36956633 bytes.
Dumping objects ->
{3835245} normal block at 0x000001BE67D41EC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000001BE67D41BB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001BE67D41590, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835212} normal block at 0x000001BE67D41AD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835201} normal block at 0x000001BE67D41B40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835170} normal block at 0x000001BE67E1AD20, 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) : {3835157} normal block at 0x000001BE66280260, 8 bytes long.
Data: < $f¾ > 00 00 24 66 BE 01 00 00
{3833945} normal block at 0x000001BE6627FF40, 8 bytes long.
Data: <Àmçg¾ > C0 6D E7 67 BE 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001BE66280700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BE66265C40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001BE66276070, 16 bytes long.
Data: <( (f¾ > 28 1D 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BE66276020, 16 bytes long.
Data: < (f¾ > 00 1D 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BE6627C3F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001BE66275EE0, 16 bytes long.
Data: <Ø (f¾ > D8 1C 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BE66276110, 16 bytes long.
Data: <° (f¾ > B0 1C 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BE66275E90, 16 bytes long.
Data: < (f¾ > 88 1C 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BE66275E40, 16 bytes long.
Data: <` (f¾ > 60 1C 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BE6627AEC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001BE66276390, 16 bytes long.
Data: <Ø[&f¾ > D8 5B 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BE6627C390, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001BE66275DF0, 16 bytes long.
Data: <°[&f¾ > B0 5B 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BE66276C50, 16 bytes long.
Data: < [&f¾ > 88 5B 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BE66275DA0, 16 bytes long.
Data: <`[&f¾ > 60 5B 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BE66276C00, 16 bytes long.
Data: <8[&f¾ > 38 5B 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BE6627FEA0, 16 bytes long.
Data: < [&f¾ > 10 5B 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BE6627FE50, 16 bytes long.
Data: <èZ&f¾ > E8 5A 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BE6627C330, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001BE662804E0, 16 bytes long.
Data: <ÀZ&f¾ > C0 5A 26 66 BE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BE66265AC0, 320 bytes long.
Data: <à (f¾ 0Ã'f¾ > E0 04 28 66 BE 01 00 00 30 C3 27 66 BE 01 00 00
{268} normal block at 0x000001BE66280490, 16 bytes long.
Data: <@ (f¾ > 40 1C 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BE662802B0, 16 bytes long.
Data: < (f¾ > 18 1C 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BE6627BD30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001BE662801C0, 16 bytes long.
Data: <ð (f¾ > F0 1B 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BE6627C150, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001BE66280440, 16 bytes long.
Data: <8 (f¾ > 38 1B 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BE662803F0, 16 bytes long.
Data: < (f¾ > 10 1B 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BE66280300, 16 bytes long.
Data: <è (f¾ > E8 1A 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BE66280170, 16 bytes long.
Data: <À (f¾ > C0 1A 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BE6627FEF0, 16 bytes long.
Data: < (f¾ > 98 1A 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BE66280120, 16 bytes long.
Data: <p (f¾ > 70 1A 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BE66280210, 16 bytes long.
Data: <p­'f¾ > 70 AD 27 66 BE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BE6627AD70, 40 bytes long.
Data: < (f¾ ­ág¾ > 10 02 28 66 BE 01 00 00 20 AD E1 67 BE 01 00 00
{254} normal block at 0x000001BE662800D0, 16 bytes long.
Data: <P (f¾ > 50 1A 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BE662803A0, 16 bytes long.
Data: <( (f¾ > 28 1A 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001BE6627BF70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001BE6627FFE0, 16 bytes long.
Data: < (f¾ > 00 1A 28 66 BE 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001BE66281A00, 992 bytes long.
Data: <àÿ'f¾ p¿'f¾ > E0 FF 27 66 BE 01 00 00 70 BF 27 66 BE 01 00 00
{86} normal block at 0x000001BE6627BC70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001BE66276340, 16 bytes long.
Data: < ¯'f¾ > A0 AF 27 66 BE 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001BE6627AFA0, 40 bytes long.
Data: <@c'f¾ p¼'f¾ > 40 63 27 66 BE 01 00 00 70 BC 27 66 BE 01 00 00
{63} normal block at 0x000001BE66276A20, 16 bytes long.
Data: < êäcö > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BE662763E0, 16 bytes long.
Data: <@éäcö > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BE66275F80, 16 bytes long.
Data: <øWácö > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BE66276520, 16 bytes long.
Data: <ØWácö > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BE662767F0, 16 bytes long.
Data: <P ácö > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BE662768E0, 16 bytes long.
Data: <0 ácö > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BE662762A0, 16 bytes long.
Data: <à ácö > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001BE662762F0, 16 bytes long.
Data: < ácö > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001BE662767A0, 16 bytes long.
Data: <p ácö > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001BE662769D0, 16 bytes long.
Data: < Àßcö > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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