Task 38686192
| Name | test_174-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7413_0 |
| Workunit | 31627630 |
| Created | 28 Oct 2026, 1:11:41 UTC |
| Sent | 28 Oct 2026, 1:11:45 UTC |
| Report deadline | 2 Nov 2026, 1:11:45 UTC |
| Received | 28 Oct 2026, 2:17:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 163955 |
| Run time | 19 min 47 sec |
| CPU time | 16 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,424.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.39 MB |
| Peak swap size | 8.43 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:57:57 (38640): wrapper (7.9.26016): starting
02:57:57 (38640): 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
02:57:58 (38640): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:57:58 (38640): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
03:17:11 (38640): C:/Windows/system32/cmd.exe exited; CPU time 964.890625
03:17:11 (38640): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20696073 bytes.
Dumping objects ->
{3835289} normal block at 0x0000018E7888A550, 48 bytes long.
Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31
{3835278} normal block at 0x0000018E7888A010, 48 bytes long.
Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31
{3835267} normal block at 0x0000018E78864E60, 48 bytes long.
Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C
{3835256} normal block at 0x0000018E78864D80, 48 bytes long.
Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31
{3835245} normal block at 0x0000018E78865410, 48 bytes long.
Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41
{3835214} normal block at 0x0000018E7A55B3B0, 64 bytes long.
Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31
{3835203} normal block at 0x0000018E7A56E970, 102 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 0x0000018E7885DB70, 8 bytes long.
Data: < ÇxŽ > 00 00 C7 78 8E 01 00 00
{3834573} normal block at 0x0000018E7A56F050, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000018E7885DDF0, 8 bytes long.
Data: <P_[zŽ > 50 5F 5B 7A 8E 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000018E78861460, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018E78856350, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000018E78865AD0, 16 bytes long.
Data: <xl†xŽ > 78 6C 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018E78865D00, 16 bytes long.
Data: <Pl†xŽ > 50 6C 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018E7885FFD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000018E78866570, 16 bytes long.
Data: <(l†xŽ > 28 6C 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018E78866390, 16 bytes long.
Data: < l†xŽ > 00 6C 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018E78865E40, 16 bytes long.
Data: <Øk†xŽ > D8 6B 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018E78866520, 16 bytes long.
Data: <°k†xŽ > B0 6B 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018E78865170, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000018E78865CB0, 16 bytes long.
Data: < “…xŽ > 88 93 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018E7885F370, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000018E78866480, 16 bytes long.
Data: <`“…xŽ > 60 93 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018E78866430, 16 bytes long.
Data: <8“…xŽ > 38 93 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018E78866250, 16 bytes long.
Data: < “…xŽ > 10 93 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018E788667A0, 16 bytes long.
Data: <è’…xŽ > E8 92 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018E78866700, 16 bytes long.
Data: <À’…xŽ > C0 92 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018E78866020, 16 bytes long.
Data: < ’…xŽ > 98 92 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018E7885F550, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000018E788663E0, 16 bytes long.
Data: <p’…xŽ > 70 92 85 78 8E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018E78859270, 320 bytes long.
Data: <àc†xŽ Põ…xŽ > E0 63 86 78 8E 01 00 00 50 F5 85 78 8E 01 00 00
{278} normal block at 0x0000018E788664D0, 16 bytes long.
Data: < k†xŽ > 90 6B 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018E78865C60, 16 bytes long.
Data: <hk†xŽ > 68 6B 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018E7885FD30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000018E78866660, 16 bytes long.
Data: <@k†xŽ > 40 6B 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018E7885FF70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000018E788662A0, 16 bytes long.
Data: < j†xŽ > 88 6A 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018E78865B70, 16 bytes long.
Data: <`j†xŽ > 60 6A 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018E78865A80, 16 bytes long.
Data: <8j†xŽ > 38 6A 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018E788659E0, 16 bytes long.
Data: < j†xŽ > 10 6A 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018E78866610, 16 bytes long.
Data: <èi†xŽ > E8 69 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018E78865C10, 16 bytes long.
Data: <Ài†xŽ > C0 69 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018E78866750, 16 bytes long.
Data: < Q†xŽ > 00 51 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018E78865100, 40 bytes long.
Data: <Pg†xŽ °³UzŽ > 50 67 86 78 8E 01 00 00 B0 B3 55 7A 8E 01 00 00
{264} normal block at 0x0000018E78865A30, 16 bytes long.
Data: < i†xŽ > A0 69 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018E78865FD0, 16 bytes long.
Data: <xi†xŽ > 78 69 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000018E7885F910, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000018E78865F30, 16 bytes long.
Data: <Pi†xŽ > 50 69 86 78 8E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000018E78866950, 992 bytes long.
Data: <0_†xŽ ù…xŽ > 30 5F 86 78 8E 01 00 00 10 F9 85 78 8E 01 00 00
{96} normal block at 0x0000018E7885F430, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000018E7885E200, 16 bytes long.
Data: <Pã„xŽ > 50 E3 84 78 8E 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000018E7884E350, 40 bytes long.
Data: < â…xŽ 0ô…xŽ > 00 E2 85 78 8E 01 00 00 30 F4 85 78 8E 01 00 00
{73} normal block at 0x0000018E7885E3E0, 16 bytes long.
Data: < êõ7ö > 80 EA F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018E7885DB20, 16 bytes long.
Data: <@éõ7ö > 40 E9 F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018E7885D6C0, 16 bytes long.
Data: <øWò7ö > F8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018E7885E110, 16 bytes long.
Data: <ØWò7ö > D8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018E7885D670, 16 bytes long.
Data: <P ò7ö > 50 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018E7885D850, 16 bytes long.
Data: <0 ò7ö > 30 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018E7885E430, 16 bytes long.
Data: <à ò7ö > E0 02 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018E7885E0C0, 16 bytes long.
Data: < ò7ö > 10 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018E7885D620, 16 bytes long.
Data: <p ò7ö > 70 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018E7885D5D0, 16 bytes long.
Data: < Àð7ö > 18 C0 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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