Task 38681685
| Name | test_967-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6457_0 |
| Workunit | 31623341 |
| Created | 27 Oct 2026, 4:57:29 UTC |
| Sent | 27 Oct 2026, 4:57:35 UTC |
| Report deadline | 1 Nov 2026, 4:57:35 UTC |
| Received | 27 Oct 2026, 6:09:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651312 |
| Run time | 17 min 13 sec |
| CPU time | 15 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,279.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.63 MB |
| Peak swap size | 10.02 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:52:01 (3372): wrapper (7.9.26016): starting
00:52:01 (3372): 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
00:52:02 (3372): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:52:02 (3372): 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\0\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\0\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
01:08:58 (3372): C:/Windows/system32/cmd.exe exited; CPU time 955.406250
01:08:58 (3372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 21904195 bytes.
Dumping objects ->
{3835289} normal block at 0x0000024864AE5A70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x0000024864AE5DF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x0000024864AE5D10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835256} normal block at 0x0000024864AE5A00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x0000024864AE5CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835214} normal block at 0x00000248668188F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x0000024864B3DFD0, 135 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) : {3835200} normal block at 0x0000024864AE07B0, 8 bytes long.
Data: < ìdH > 00 00 EC 64 48 02 00 00
{3834577} normal block at 0x0000024864B3DBC0, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x0000024864AE12F0, 8 bytes long.
Data: <àá»dH > E0 E1 BB 64 48 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024864AE1C20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024864AD6B70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000024864AE6940, 16 bytes long.
Data: <Ød®dH > D8 64 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024864AE7570, 16 bytes long.
Data: <°d®dH > B0 64 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024864ADFDE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000024864AE68F0, 16 bytes long.
Data: < d®dH > 88 64 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024864AE6F80, 16 bytes long.
Data: <`d®dH > 60 64 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024864AE6F30, 16 bytes long.
Data: <8d®dH > 38 64 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024864AE6850, 16 bytes long.
Data: < d®dH > 10 64 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024864AE5BC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000024864AE6A80, 16 bytes long.
Data: <hž­dH > 68 9E AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024864ADFD20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000024864AE6DF0, 16 bytes long.
Data: <@ž­dH > 40 9E AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024864AE6AD0, 16 bytes long.
Data: < ž­dH > 18 9E AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024864AE7070, 16 bytes long.
Data: <ð ­dH > F0 9D AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024864AE74D0, 16 bytes long.
Data: <È ­dH > C8 9D AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024864AE6E90, 16 bytes long.
Data: <  ­dH > A0 9D AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024864AE6BC0, 16 bytes long.
Data: <x ­dH > 78 9D AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024864ADF6C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000024864AE6800, 16 bytes long.
Data: <P ­dH > 50 9D AD 64 48 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024864AD9D50, 320 bytes long.
Data: < h®dH Àö­dH > 00 68 AE 64 48 02 00 00 C0 F6 AD 64 48 02 00 00
{273} normal block at 0x0000024864AE7020, 16 bytes long.
Data: <ðc®dH > F0 63 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024864AE72F0, 16 bytes long.
Data: <Èc®dH > C8 63 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024864ADFB40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000024864AE67B0, 16 bytes long.
Data: < c®dH > A0 63 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024864ADF660, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000024864AE6EE0, 16 bytes long.
Data: <èb®dH > E8 62 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024864AE6760, 16 bytes long.
Data: <Àb®dH > C0 62 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024864AE7110, 16 bytes long.
Data: < b®dH > 98 62 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024864AE7430, 16 bytes long.
Data: <pb®dH > 70 62 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024864AE0AD0, 16 bytes long.
Data: <Hb®dH > 48 62 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024864AE0D00, 16 bytes long.
Data: < b®dH > 20 62 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024864AE0A80, 16 bytes long.
Data: < Y®dH > 20 59 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024864AE5920, 40 bytes long.
Data: < ®dH ð fH > 80 0A AE 64 48 02 00 00 F0 88 81 66 48 02 00 00
{259} normal block at 0x0000024864AE06C0, 16 bytes long.
Data: < b®dH > 00 62 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024864AE0670, 16 bytes long.
Data: <Øa®dH > D8 61 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024864ADF4E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000024864AE1390, 16 bytes long.
Data: <°a®dH > B0 61 AE 64 48 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024864AE61B0, 992 bytes long.
Data: < ®dH àô­dH > 90 13 AE 64 48 02 00 00 E0 F4 AD 64 48 02 00 00
{91} normal block at 0x0000024864ADFF60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000024864AE0800, 16 bytes long.
Data: <pجdH > 70 D8 AC 64 48 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000024864ACD870, 40 bytes long.
Data: < ®dH `ÿ­dH > 00 08 AE 64 48 02 00 00 60 FF AD 64 48 02 00 00
{68} normal block at 0x0000024864AE0850, 16 bytes long.
Data: < êŒ ÷ > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024864AE0FD0, 16 bytes long.
Data: <@éŒ ÷ > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024864AE12A0, 16 bytes long.
Data: <øW‰ ÷ > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024864AE0760, 16 bytes long.
Data: <ØW‰ ÷ > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024864AE0F80, 16 bytes long.
Data: <P ‰ ÷ > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024864AE1160, 16 bytes long.
Data: <0 ‰ ÷ > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024864AE0710, 16 bytes long.
Data: <à ‰ ÷ > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024864AE0530, 16 bytes long.
Data: < ‰ ÷ > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024864AE0F30, 16 bytes long.
Data: <p ‰ ÷ > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024864AE0B70, 16 bytes long.
Data: < À‡ ÷ > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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