Task 38670239
| Name | test_818-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3842_0 |
| Workunit | 31612496 |
| Created | 25 Oct 2026, 16:52:55 UTC |
| Sent | 25 Oct 2026, 16:53:01 UTC |
| Report deadline | 30 Oct 2026, 16:53:01 UTC |
| Received | 25 Oct 2026, 17:16:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 185928 |
| Run time | 22 min 24 sec |
| CPU time | 21 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,775.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.83 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:54:06 (58596): wrapper (7.9.26016): starting
12:54:06 (58596): 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
12:54:07 (58596): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:54:07 (58596): 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:\BoincData\slots\19\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:\BoincData\slots\19\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
13:15:38 (58596): C:/Windows/system32/cmd.exe exited; CPU time 1291.500000
13:15:38 (58596): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 28440713 bytes.
Dumping objects ->
{3835574} normal block at 0x000002BE8C850DF0, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835563} normal block at 0x000002BE8C996650, 32 bytes long.
Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835552} normal block at 0x000002BE8C9966B0, 32 bytes long.
Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835541} normal block at 0x000002BE8C9969B0, 32 bytes long.
Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835530} normal block at 0x000002BE8C997730, 32 bytes long.
Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44
{3835499} normal block at 0x000002BE8C850A00, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000002BE8AC1F2F0, 8 bytes long.
Data: < ½Š¾ > 00 00 BD 8A BE 02 00 00
{3833957} normal block at 0x000002BE8AC1F6B0, 8 bytes long.
Data: < ÞÏŠ¾ > A0 DE CF 8A BE 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002BE8AC21E30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BE8AC195F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002BE8AC6DF70, 16 bytes long.
Data: <èéÆŠ¾ > E8 E9 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002BE8AC6D750, 16 bytes long.
Data: <ÀéÆŠ¾ > C0 E9 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002BE8AC6CC90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002BE8AC6DF20, 16 bytes long.
Data: < éÆŠ¾ > 98 E9 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BE8AC6DE30, 16 bytes long.
Data: <péÆŠ¾ > 70 E9 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002BE8AC6D700, 16 bytes long.
Data: <HéÆŠ¾ > 48 E9 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BE8AC6DCA0, 16 bytes long.
Data: < éÆŠ¾ > 20 E9 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BE8AC26F70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002BE8AC6DDE0, 16 bytes long.
Data: <øšÁŠ¾ > F8 9A C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BE8AC6D410, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002BE8AC6E150, 16 bytes long.
Data: <КÁŠ¾ > D0 9A C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BE8AC6DAC0, 16 bytes long.
Data: <¨šÁŠ¾ > A8 9A C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BE8AC6DD90, 16 bytes long.
Data: < šÁŠ¾ > 80 9A C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BE8AC6D7F0, 16 bytes long.
Data: <XšÁŠ¾ > 58 9A C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BE8AC6DA70, 16 bytes long.
Data: <0šÁŠ¾ > 30 9A C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BE8AC6E650, 16 bytes long.
Data: < šÁŠ¾ > 08 9A C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BE8AC6D530, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002BE8AC6DBB0, 16 bytes long.
Data: <à ÁŠ¾ > E0 99 C1 8A BE 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BE8AC199E0, 320 bytes long.
Data: <°ÛÆŠ¾ 0ÕÆŠ¾ > B0 DB C6 8A BE 02 00 00 30 D5 C6 8A BE 02 00 00
{274} normal block at 0x000002BE8AC6E1A0, 16 bytes long.
Data: < éÆŠ¾ > 00 E9 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BE8AC6E100, 16 bytes long.
Data: <ØèÆŠ¾ > D8 E8 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BE8AC6D290, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002BE8AC6E0B0, 16 bytes long.
Data: <°èÆŠ¾ > B0 E8 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BE8AC6D050, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002BE8AC6DED0, 16 bytes long.
Data: <øçÆŠ¾ > F8 E7 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BE8AC6E510, 16 bytes long.
Data: <ÐçÆŠ¾ > D0 E7 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BE8AC6E420, 16 bytes long.
Data: <¨çÆŠ¾ > A8 E7 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BE8AC6D930, 16 bytes long.
Data: < çÆŠ¾ > 80 E7 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BE8AC6DC00, 16 bytes long.
Data: <XçÆŠ¾ > 58 E7 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BE8AC6DA20, 16 bytes long.
Data: <0çÆŠ¾ > 30 E7 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BE8AC6D9D0, 16 bytes long.
Data: < kŠ¾ > 80 6B C2 8A BE 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BE8AC26B80, 40 bytes long.
Data: <ÐÙÆŠ¾ …Œ¾ > D0 D9 C6 8A BE 02 00 00 00 0A 85 8C BE 02 00 00
{260} normal block at 0x000002BE8AC6DD40, 16 bytes long.
Data: < çÆŠ¾ > 10 E7 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BE8AC6E3D0, 16 bytes long.
Data: <èæÆŠ¾ > E8 E6 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002BE8AC6D170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002BE8AC6E600, 16 bytes long.
Data: <ÀæÆŠ¾ > C0 E6 C6 8A BE 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002BE8AC6E6C0, 992 bytes long.
Data: < æÆŠ¾ pÑÆŠ¾ > 00 E6 C6 8A BE 02 00 00 70 D1 C6 8A BE 02 00 00
{92} normal block at 0x000002BE8AC6C870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002BE8AC1EE40, 16 bytes long.
Data: <PiŠ¾ > 50 69 C2 8A BE 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002BE8AC26950, 40 bytes long.
Data: <@îÁŠ¾ pÈÆŠ¾ > 40 EE C1 8A BE 02 00 00 70 C8 C6 8A BE 02 00 00
{69} normal block at 0x000002BE8AC1F840, 16 bytes long.
Data: < ê~ ö > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BE8AC1F200, 16 bytes long.
Data: <@é~ ö > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BE8AC1FCA0, 16 bytes long.
Data: <øW{ ö > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BE8AC1F610, 16 bytes long.
Data: <ØW{ ö > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BE8AC1FC00, 16 bytes long.
Data: <P { ö > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002BE8AC1F7F0, 16 bytes long.
Data: <0 { ö > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BE8AC1FD40, 16 bytes long.
Data: <à { ö > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BE8AC1F5C0, 16 bytes long.
Data: < { ö > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BE8AC1F570, 16 bytes long.
Data: <p { ö > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002BE8AC1FBB0, 16 bytes long.
Data: < Ày ö > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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