Task 38684406
| Name | test_459-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND4761_0 |
| Workunit | 31625921 |
| Created | 27 Oct 2026, 16:11:32 UTC |
| Sent | 27 Oct 2026, 16:11:37 UTC |
| Report deadline | 1 Nov 2026, 16:11:37 UTC |
| Received | 27 Oct 2026, 17:36:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627984 |
| Run time | 36 min 32 sec |
| CPU time | 36 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,104.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.22 MB |
| Peak swap size | 14.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:59:09 (20056): wrapper (7.9.26016): starting
18:59:09 (20056): 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
18:59:11 (20056): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:59:11 (20056): 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\21\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\21\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
19:35:31 (20056): C:/Windows/system32/cmd.exe exited; CPU time 2192.968750
19:35:31 (20056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 57198695 bytes.
Dumping objects ->
{3835234} normal block at 0x0000024EDFBA4F30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x0000024EDFBA5010, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x0000024EDFBA4910, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835201} normal block at 0x0000024EDFBA4C90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835190} normal block at 0x0000024EDFBA5470, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835159} normal block at 0x0000024EE198B6C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835148} normal block at 0x0000024EDFBA7760, 180 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) : {3835145} normal block at 0x0000024EDFB7FFD0, 8 bytes long.
Data: < ¯ßN > 00 00 AF DF 4E 02 00 00
{3834543} normal block at 0x0000024EDFBA7D00, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x0000024EDFB80070, 8 bytes long.
Data: <P@§áN > 50 40 A7 E1 4E 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000024EDFB802E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024EDFB7BE00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x0000024EDFB76DD0, 16 bytes long.
Data: < %¸ßN > 18 25 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024EDFB76CE0, 16 bytes long.
Data: <ð$¸ßN > F0 24 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024EDFB7CB50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x0000024EDFB76C90, 16 bytes long.
Data: <È$¸ßN > C8 24 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024EDFB75F20, 16 bytes long.
Data: < $¸ßN > A0 24 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024EDFB76740, 16 bytes long.
Data: <x$¸ßN > 78 24 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024EDFB76D80, 16 bytes long.
Data: <P$¸ßN > 50 24 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024EDFB7AE70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x0000024EDFB76650, 16 bytes long.
Data: < ½·ßN > 98 BD B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024EDFB7C790, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x0000024EDFB76920, 16 bytes long.
Data: <p½·ßN > 70 BD B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024EDFB768D0, 16 bytes long.
Data: <H½·ßN > 48 BD B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024EDFB76330, 16 bytes long.
Data: < ½·ßN > 20 BD B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024EDFB762E0, 16 bytes long.
Data: <ø¼·ßN > F8 BC B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024EDFB7FC10, 16 bytes long.
Data: <м·ßN > D0 BC B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024EDFB7FBC0, 16 bytes long.
Data: <¨¼·ßN > A8 BC B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024EDFB7C010, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x0000024EDFB7FB70, 16 bytes long.
Data: <€¼·ßN > 80 BC B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024EDFB7BC80, 320 bytes long.
Data: <pû·ßN À·ßN > 70 FB B7 DF 4E 02 00 00 10 C0 B7 DF 4E 02 00 00
{267} normal block at 0x0000024EDFB7FF30, 16 bytes long.
Data: <0$¸ßN > 30 24 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024EDFB7FDF0, 16 bytes long.
Data: < $¸ßN > 08 24 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024EDFB7CDF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x0000024EDFB7FCB0, 16 bytes long.
Data: <à#¸ßN > E0 23 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024EDFB7CD30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x0000024EDFB7FDA0, 16 bytes long.
Data: <(#¸ßN > 28 23 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024EDFB7FEE0, 16 bytes long.
Data: < #¸ßN > 00 23 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024EDFB7FB20, 16 bytes long.
Data: <Ø"¸ßN > D8 22 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024EDFB7F9E0, 16 bytes long.
Data: <°"¸ßN > B0 22 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024EDFB7FA30, 16 bytes long.
Data: < "¸ßN > 88 22 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024EDFB7FD50, 16 bytes long.
Data: <`"¸ßN > 60 22 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024EDFB80020, 16 bytes long.
Data: < °·ßN > A0 B0 B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000024EDFB7B0A0, 40 bytes long.
Data: < ¸ßN À¶ áN > 20 00 B8 DF 4E 02 00 00 C0 B6 98 E1 4E 02 00 00
{253} normal block at 0x0000024EDFB7FF80, 16 bytes long.
Data: <@"¸ßN > 40 22 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000024EDFB7FD00, 16 bytes long.
Data: < "¸ßN > 18 22 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000024EDFB7C190, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x0000024EDFB7FC60, 16 bytes long.
Data: <ð!¸ßN > F0 21 B8 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000024EDFB821F0, 992 bytes long.
Data: <`ü·ßN Á·ßN > 60 FC B7 DF 4E 02 00 00 90 C1 B7 DF 4E 02 00 00
{85} normal block at 0x0000024EDFB7C1F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x0000024EDFB761F0, 16 bytes long.
Data: <@¬·ßN > 40 AC B7 DF 4E 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000024EDFB7AC40, 40 bytes long.
Data: <ða·ßN ðÁ·ßN > F0 61 B7 DF 4E 02 00 00 F0 C1 B7 DF 4E 02 00 00
{62} normal block at 0x0000024EDFB76560, 16 bytes long.
Data: <€êÒ~ö > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024EDFB76970, 16 bytes long.
Data: <@éÒ~ö > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024EDFB761A0, 16 bytes long.
Data: <øWÏ~ö > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024EDFB76100, 16 bytes long.
Data: <ØWÏ~ö > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024EDFB760B0, 16 bytes long.
Data: <P Ï~ö > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000024EDFB76290, 16 bytes long.
Data: <0 Ï~ö > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000024EDFB76A60, 16 bytes long.
Data: <à Ï~ö > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000024EDFB76510, 16 bytes long.
Data: < Ï~ö > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000024EDFB76B50, 16 bytes long.
Data: <p Ï~ö > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000024EDFB764C0, 16 bytes long.
Data: < ÀÍ~ö > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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