Task 38684988
| Name | test_282-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5585_0 |
| Workunit | 31626485 |
| Created | 27 Oct 2026, 18:54:05 UTC |
| Sent | 27 Oct 2026, 18:54:07 UTC |
| Report deadline | 1 Nov 2026, 18:54:07 UTC |
| Received | 27 Oct 2026, 21:37:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 1 hours 8 min 45 sec |
| CPU time | 1 hours 3 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 875.19 MB |
| Peak swap size | 2.22 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:30:26 (1924): wrapper (7.9.26016): starting
22:30:26 (1924): 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
22:30:28 (1924): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:30:28 (1924): 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\4\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\4\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
23:37:27 (1924): C:/Windows/system32/cmd.exe exited; CPU time 3812.218750
23:37:27 (1924): 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: 48138363 bytes.
Dumping objects ->
{3835194} normal block at 0x0000016C932807D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x0000016C932814F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x0000016C932811E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835161} normal block at 0x0000016C93280D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x0000016C93280920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835119} normal block at 0x0000016C9336BB20, 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) : {3835106} normal block at 0x0000016C917F6200, 8 bytes long.
Data: < )“l > 00 00 29 93 6C 01 00 00
{3833949} normal block at 0x0000016C917F5EE0, 8 bytes long.
Data: <°h<“l > B0 68 3C 93 6C 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000016C91800C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016C917E5CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000016C91801CC0, 16 bytes long.
Data: <(/ ‘l > 28 2F 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016C91801C70, 16 bytes long.
Data: < / ‘l > 00 2F 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016C917FC480, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000016C91801C20, 16 bytes long.
Data: <Ø. ‘l > D8 2E 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016C91801BD0, 16 bytes long.
Data: <°. ‘l > B0 2E 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016C91801B80, 16 bytes long.
Data: < . ‘l > 88 2E 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016C918028F0, 16 bytes long.
Data: <`. ‘l > 60 2E 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016C917FA730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000016C918022B0, 16 bytes long.
Data: < \~‘l > 88 5C 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016C917FC3C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000016C91802210, 16 bytes long.
Data: <`\~‘l > 60 5C 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016C91801F40, 16 bytes long.
Data: <8\~‘l > 38 5C 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016C91801B30, 16 bytes long.
Data: < \~‘l > 10 5C 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016C918028A0, 16 bytes long.
Data: <è[~‘l > E8 5B 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016C91801AE0, 16 bytes long.
Data: <À[~‘l > C0 5B 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016C91801A90, 16 bytes long.
Data: < [~‘l > 98 5B 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016C917FB880, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000016C91802120, 16 bytes long.
Data: <p[~‘l > 70 5B 7E 91 6C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016C917E5B70, 320 bytes long.
Data: < ! ‘l ¸ ‘l > 20 21 80 91 6C 01 00 00 80 B8 7F 91 6C 01 00 00
{270} normal block at 0x0000016C918029E0, 16 bytes long.
Data: <@. ‘l > 40 2E 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016C918026C0, 16 bytes long.
Data: < . ‘l > 18 2E 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016C917FBF40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000016C918021C0, 16 bytes long.
Data: <ð- ‘l > F0 2D 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016C917FB9A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000016C91801E00, 16 bytes long.
Data: <8- ‘l > 38 2D 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016C918025D0, 16 bytes long.
Data: < - ‘l > 10 2D 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016C91801DB0, 16 bytes long.
Data: <è, ‘l > E8 2C 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016C91802710, 16 bytes long.
Data: <À, ‘l > C0 2C 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016C91802670, 16 bytes long.
Data: < , ‘l > 98 2C 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016C91802760, 16 bytes long.
Data: <p, ‘l > 70 2C 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000016C91802580, 16 bytes long.
Data: < ¤ ‘l > 20 A4 7F 91 6C 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016C917FA420, 40 bytes long.
Data: < % ‘l »6“l > 80 25 80 91 6C 01 00 00 20 BB 36 93 6C 01 00 00
{256} normal block at 0x0000016C91801D10, 16 bytes long.
Data: <P, ‘l > 50 2C 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000016C91802990, 16 bytes long.
Data: <(, ‘l > 28 2C 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000016C917FB7C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000016C91802030, 16 bytes long.
Data: < , ‘l > 00 2C 80 91 6C 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000016C91802C00, 992 bytes long.
Data: <0 ‘l À· ‘l > 30 20 80 91 6C 01 00 00 C0 B7 7F 91 6C 01 00 00
{88} normal block at 0x0000016C917FB820, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000016C917F53F0, 16 bytes long.
Data: <°£ ‘l > B0 A3 7F 91 6C 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000016C917FA3B0, 40 bytes long.
Data: <ðS ‘l ¸ ‘l > F0 53 7F 91 6C 01 00 00 20 B8 7F 91 6C 01 00 00
{65} normal block at 0x0000016C917F5620, 16 bytes long.
Data: < êÀj÷ > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016C917F5850, 16 bytes long.
Data: <@éÀj÷ > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016C917F5E90, 16 bytes long.
Data: <øW½j÷ > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016C917F55D0, 16 bytes long.
Data: <ØW½j÷ > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016C917F6250, 16 bytes long.
Data: <P ½j÷ > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016C917F5CB0, 16 bytes long.
Data: <0 ½j÷ > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016C917F5A30, 16 bytes long.
Data: <à ½j÷ > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016C917F5F80, 16 bytes long.
Data: < ½j÷ > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000016C917F6110, 16 bytes long.
Data: <p ½j÷ > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000016C917F5E40, 16 bytes long.
Data: < À»j÷ > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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