Task 38698121
| Name | test_256-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5326_0 |
| Workunit | 31638653 |
| Created | 2 Nov 2026, 3:56:58 UTC |
| Sent | 2 Nov 2026, 3:57:00 UTC |
| Report deadline | 7 Nov 2026, 3:57:00 UTC |
| Received | 2 Nov 2026, 9:17:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654054 |
| Run time | 3 hours 13 min 8 sec |
| CPU time | 3 hours 4 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,130.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 631.85 MB |
| Peak swap size | 2.17 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:04:46 (5728): wrapper (7.9.26016): starting
07:04:46 (5728): 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
07:04:49 (5728): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:04:49 (5728): 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\3\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\3\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
10:15:18 (5728): C:/Windows/system32/cmd.exe exited; CPU time 11071.953125
10:15:18 (5728): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 148978489 bytes.
Dumping objects ->
{3835397} normal block at 0x00000245A4AE0F40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835386} normal block at 0x00000245A4AE0990, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835375} normal block at 0x00000245A4AE11E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835364} normal block at 0x00000245A4AE1640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835353} normal block at 0x00000245A4AE1480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835322} normal block at 0x00000245A4C6B5A0, 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) : {3835309} normal block at 0x00000245A31363E0, 8 bytes long.
Data: < ¯¤E > 00 00 AF A4 45 02 00 00
{3833947} normal block at 0x00000245A3135850, 8 bytes long.
Data: <@/®¤E > 40 2F AE A4 45 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000245A3140B30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000245A3125D20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000245A3141DA0, 16 bytes long.
Data: < / £E > 18 2F 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000245A3141BC0, 16 bytes long.
Data: <ð. £E > F0 2E 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000245A313C370, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000245A3142840, 16 bytes long.
Data: <È. £E > C8 2E 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000245A31427F0, 16 bytes long.
Data: < . £E > A0 2E 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000245A31427A0, 16 bytes long.
Data: <x. £E > 78 2E 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000245A31425C0, 16 bytes long.
Data: <P. £E > 50 2E 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000245A313A7D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000245A3142610, 16 bytes long.
Data: <¸\ £E > B8 5C 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000245A313B7D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000245A3142750, 16 bytes long.
Data: < \ £E > 90 5C 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000245A3141B70, 16 bytes long.
Data: <h\ £E > 68 5C 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000245A31426B0, 16 bytes long.
Data: <@\ £E > 40 5C 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000245A3141B20, 16 bytes long.
Data: < \ £E > 18 5C 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000245A31424D0, 16 bytes long.
Data: <ð[ £E > F0 5B 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000245A3141D50, 16 bytes long.
Data: <È[ £E > C8 5B 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000245A313C610, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000245A3141AD0, 16 bytes long.
Data: < [ £E > A0 5B 12 A3 45 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000245A3125BA0, 320 bytes long.
Data: <Ð £E Æ £E > D0 1A 14 A3 45 02 00 00 10 C6 13 A3 45 02 00 00
{269} normal block at 0x00000245A3142700, 16 bytes long.
Data: <0. £E > 30 2E 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000245A3142430, 16 bytes long.
Data: < . £E > 08 2E 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000245A313BC50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000245A3142390, 16 bytes long.
Data: <à- £E > E0 2D 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000245A313BB90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000245A3142980, 16 bytes long.
Data: <(- £E > 28 2D 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000245A3141DF0, 16 bytes long.
Data: < - £E > 00 2D 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000245A31428E0, 16 bytes long.
Data: <Ø, £E > D8 2C 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000245A3141FD0, 16 bytes long.
Data: <°, £E > B0 2C 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000245A3142020, 16 bytes long.
Data: < , £E > 88 2C 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000245A3142890, 16 bytes long.
Data: <`, £E > 60 2C 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000245A3142340, 16 bytes long.
Data: <À¤ £E > C0 A4 13 A3 45 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000245A313A4C0, 40 bytes long.
Data: <@# £E  µÆ¤E > 40 23 14 A3 45 02 00 00 A0 B5 C6 A4 45 02 00 00
{255} normal block at 0x00000245A3141C10, 16 bytes long.
Data: <@, £E > 40 2C 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000245A31429D0, 16 bytes long.
Data: < , £E > 18 2C 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000245A313C310, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000245A31422A0, 16 bytes long.
Data: <ð+ £E > F0 2B 14 A3 45 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000245A3142BF0, 992 bytes long.
Data: < " £E Ã £E > A0 22 14 A3 45 02 00 00 10 C3 13 A3 45 02 00 00
{87} normal block at 0x00000245A313C430, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000245A31355D0, 16 bytes long.
Data: < ¥ £E > A0 A5 13 A3 45 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000245A313A5A0, 40 bytes long.
Data: <ÐU £E 0Ä £E > D0 55 13 A3 45 02 00 00 30 C4 13 A3 45 02 00 00
{64} normal block at 0x00000245A3135670, 16 bytes long.
Data: < êíãö > 80 EA ED E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000245A3135DF0, 16 bytes long.
Data: <@éíãö > 40 E9 ED E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000245A3135D00, 16 bytes long.
Data: <øWêãö > F8 57 EA E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000245A3135760, 16 bytes long.
Data: <ØWêãö > D8 57 EA E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000245A31356C0, 16 bytes long.
Data: <P êãö > 50 04 EA E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000245A3135E90, 16 bytes long.
Data: <0 êãö > 30 04 EA E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000245A3135B20, 16 bytes long.
Data: <à êãö > E0 02 EA E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000245A3135C60, 16 bytes long.
Data: < êãö > 10 04 EA E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000245A3135FD0, 16 bytes long.
Data: <p êãö > 70 04 EA E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000245A31354E0, 16 bytes long.
Data: < Àèãö > 18 C0 E8 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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