Task 38696321
| Name | test_118-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4911_0 |
| Workunit | 31636959 |
| Created | 31 Oct 2026, 22:08:36 UTC |
| Sent | 31 Oct 2026, 22:08:38 UTC |
| Report deadline | 5 Nov 2026, 22:08:38 UTC |
| Received | 31 Oct 2026, 23:32:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652859 |
| Run time | 1 hours 16 min 50 sec |
| CPU time | 56 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 10,386.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 776.34 MB |
| Peak swap size | 12.95 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:19:22 (90548): wrapper (7.9.26016): starting
23:19:22 (90548): 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
23:19:23 (90548): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:19:24 (90548): 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
00:32:21 (90548): C:/Windows/system32/cmd.exe exited; CPU time 3419.812500
00:32:21 (90548): 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: 93903319 bytes.
Dumping objects ->
{3835444} normal block at 0x000001D56219DCA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835433} normal block at 0x000001D56219D7D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835422} normal block at 0x000001D5604E49A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835411} normal block at 0x000001D5604E48C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835400} normal block at 0x000001D5604E4B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835369} normal block at 0x000001D5621E8030, 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) : {3835356} normal block at 0x000001D5604DD2E0, 8 bytes long.
Data: < `Õ > 00 00 8F 60 D5 01 00 00
{3833965} normal block at 0x000001D5604DDAB0, 8 bytes long.
Data: <`K'bÕ > 60 4B 27 62 D5 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D5604E1600, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D5604D0760, 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 0x000001D5604E5A30, 16 bytes long.
Data: < jN`Õ > 98 6A 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D5604E61B0, 16 bytes long.
Data: <pjN`Õ > 70 6A 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D5604DF3D0, 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 0x000001D5604E5940, 16 bytes long.
Data: <HjN`Õ > 48 6A 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D5604E58F0, 16 bytes long.
Data: < jN`Õ > 20 6A 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D5604E66B0, 16 bytes long.
Data: <øiN`Õ > F8 69 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D5604E5A80, 16 bytes long.
Data: <ÐiN`Õ > D0 69 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D5604E4770, 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 0x000001D5604E6160, 16 bytes long.
Data: <hSN`Õ > 68 53 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D5604DF190, 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 0x000001D5604E5DF0, 16 bytes long.
Data: <@SN`Õ > 40 53 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D5604E6340, 16 bytes long.
Data: < SN`Õ > 18 53 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D5604E57B0, 16 bytes long.
Data: <ðRN`Õ > F0 52 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D5604E6520, 16 bytes long.
Data: <ÈRN`Õ > C8 52 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D5604E5BC0, 16 bytes long.
Data: < RN`Õ > A0 52 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D5604E5850, 16 bytes long.
Data: <xRN`Õ > 78 52 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D5604DF2B0, 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 0x000001D5604E5990, 16 bytes long.
Data: <PRN`Õ > 50 52 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D5604E5250, 320 bytes long.
Data: < YN`Õ °òM`Õ > 90 59 4E 60 D5 01 00 00 B0 F2 4D 60 D5 01 00 00
{278} normal block at 0x000001D5604E5CB0, 16 bytes long.
Data: <°iN`Õ > B0 69 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D5604E6110, 16 bytes long.
Data: < iN`Õ > 88 69 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D5604DF130, 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 0x000001D5604E64D0, 16 bytes long.
Data: <`iN`Õ > 60 69 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D5604DF0D0, 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 0x000001D5604E6480, 16 bytes long.
Data: <¨hN`Õ > A8 68 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D5604E5FD0, 16 bytes long.
Data: < hN`Õ > 80 68 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D5604E6430, 16 bytes long.
Data: <XhN`Õ > 58 68 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D5604E60C0, 16 bytes long.
Data: <0hN`Õ > 30 68 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D5604E6070, 16 bytes long.
Data: < hN`Õ > 08 68 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D5604E5F80, 16 bytes long.
Data: <àgN`Õ > E0 67 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D5604E5B70, 16 bytes long.
Data: < GN`Õ > 00 47 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D5604E4700, 40 bytes long.
Data: <p[N`Õ 0 bÕ > 70 5B 4E 60 D5 01 00 00 30 80 1E 62 D5 01 00 00
{264} normal block at 0x000001D5604E62F0, 16 bytes long.
Data: <ÀgN`Õ > C0 67 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D5604E6020, 16 bytes long.
Data: < gN`Õ > 98 67 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D5604DF070, 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 0x000001D5604E5C10, 16 bytes long.
Data: <pgN`Õ > 70 67 4E 60 D5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D5604E6770, 992 bytes long.
Data: < \N`Õ pðM`Õ > 10 5C 4E 60 D5 01 00 00 70 F0 4D 60 D5 01 00 00
{96} normal block at 0x000001D5604DF610, 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 0x000001D5604DDB50, 16 bytes long.
Data: <0ÚL`Õ > 30 DA 4C 60 D5 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001D5604CDA30, 40 bytes long.
Data: <PÛM`Õ öM`Õ > 50 DB 4D 60 D5 01 00 00 10 F6 4D 60 D5 01 00 00
{73} normal block at 0x000001D5604DE000, 16 bytes long.
Data: < êîœ÷ > 80 EA EE 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D5604DDCE0, 16 bytes long.
Data: <@éîœ÷ > 40 E9 EE 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D5604DDFB0, 16 bytes long.
Data: <øWëœ÷ > F8 57 EB 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D5604DD740, 16 bytes long.
Data: <ØWëœ÷ > D8 57 EB 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D5604DD3D0, 16 bytes long.
Data: <P ëœ÷ > 50 04 EB 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D5604DD880, 16 bytes long.
Data: <0 ëœ÷ > 30 04 EB 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D5604DD830, 16 bytes long.
Data: <à ëœ÷ > E0 02 EB 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D5604DDF10, 16 bytes long.
Data: < ëœ÷ > 10 04 EB 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D5604DD290, 16 bytes long.
Data: <p ëœ÷ > 70 04 EB 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D5604DDB00, 16 bytes long.
Data: < Àéœ÷ > 18 C0 E9 9C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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