Task 38686772
| Name | test_6-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2363_1 |
| Workunit | 31625238 |
| Created | 28 Oct 2026, 4:18:53 UTC |
| Sent | 28 Oct 2026, 4:19:00 UTC |
| Report deadline | 2 Nov 2026, 4:19:00 UTC |
| Received | 28 Oct 2026, 6:26:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644440 |
| Run time | 59 min 29 sec |
| CPU time | 59 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.07 MB |
| Peak swap size | 12.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:25:32 (84608): wrapper (7.9.26016): starting
01:25:32 (84608): 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
01:25:33 (84608): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:25:33 (84608): 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\32\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\32\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
02:25:44 (84608): C:/Windows/system32/cmd.exe exited; CPU time 3569.562500
02:25:44 (84608): 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: 102704323 bytes.
Dumping objects ->
{3835512} normal block at 0x000002F4EDB4F0F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x000002F4EBEA6370, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x000002F4EBEA63E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x000002F4EBEA6300, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000002F4EBEA6220, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x000002F4EDB991D0, 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) : {3835424} normal block at 0x000002F4EBE9FF50, 8 bytes long.
Data: < ãëô > 00 00 E3 EB F4 02 00 00
{3833965} normal block at 0x000002F4EBEA04A0, 8 bytes long.
Data: <Pɺíô > 50 C9 BA ED F4 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002F4EBE97B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002F4EBE98720, 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 0x000002F4EBEA7400, 16 bytes long.
Data: <x~êëô > 78 7E EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002F4EBEA75E0, 16 bytes long.
Data: <P~êëô > 50 7E EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002F4EBEA20C0, 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 0x000002F4EBEA7900, 16 bytes long.
Data: <(~êëô > 28 7E EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002F4EBEA78B0, 16 bytes long.
Data: < ~êëô > 00 7E EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002F4EBEA7310, 16 bytes long.
Data: <Ø}êëô > D8 7D EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002F4EBEA7540, 16 bytes long.
Data: <°}êëô > B0 7D EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002F4EBEA65A0, 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 0x000002F4EBEA7810, 16 bytes long.
Data: <XÄèëô > 58 C4 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002F4EBEA1C40, 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 0x000002F4EBEA7AE0, 16 bytes long.
Data: <0Äèëô > 30 C4 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002F4EBEA76D0, 16 bytes long.
Data: < Äèëô > 08 C4 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002F4EBEA6FF0, 16 bytes long.
Data: <àÃèëô > E0 C3 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002F4EBEA7040, 16 bytes long.
Data: <¸Ãèëô > B8 C3 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002F4EBEA7770, 16 bytes long.
Data: < Ãèëô > 90 C3 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002F4EBEA7180, 16 bytes long.
Data: <hÃèëô > 68 C3 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002F4EBEA1DC0, 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 0x000002F4EBEA6FA0, 16 bytes long.
Data: <@Ãèëô > 40 C3 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002F4EBE8C340, 320 bytes long.
Data: < oêëô À êëô > A0 6F EA EB F4 02 00 00 C0 1D EA EB F4 02 00 00
{278} normal block at 0x000002F4EBEA73B0, 16 bytes long.
Data: < }êëô > 90 7D EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002F4EBEA6F50, 16 bytes long.
Data: <h}êëô > 68 7D EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002F4EBEA2A80, 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 0x000002F4EBEA74F0, 16 bytes long.
Data: <@}êëô > 40 7D EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002F4EBEA1D60, 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 0x000002F4EBEA7590, 16 bytes long.
Data: < |êëô > 88 7C EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002F4EBEA6E10, 16 bytes long.
Data: <`|êëô > 60 7C EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002F4EBEA7720, 16 bytes long.
Data: <8|êëô > 38 7C EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002F4EBEA7950, 16 bytes long.
Data: < |êëô > 10 7C EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002F4EBEA6F00, 16 bytes long.
Data: <è{êëô > E8 7B EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002F4EBEA6DC0, 16 bytes long.
Data: <À{êëô > C0 7B EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002F4EBEA7680, 16 bytes long.
Data: <Àdêëô > C0 64 EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002F4EBEA64C0, 40 bytes long.
Data: < vêëô Б¹íô > 80 76 EA EB F4 02 00 00 D0 91 B9 ED F4 02 00 00
{264} normal block at 0x000002F4EBEA7860, 16 bytes long.
Data: < {êëô > A0 7B EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002F4EBEA77C0, 16 bytes long.
Data: <x{êëô > 78 7B EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002F4EBEA29C0, 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 0x000002F4EBEA6C80, 16 bytes long.
Data: <P{êëô > 50 7B EA EB F4 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002F4EBEA7B50, 992 bytes long.
Data: < lêëô À)êëô > 80 6C EA EB F4 02 00 00 C0 29 EA EB F4 02 00 00
{96} normal block at 0x000002F4EBEA1F40, 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 0x000002F4EBEA0130, 16 bytes long.
Data: <°Ðèëô > B0 D0 E8 EB F4 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002F4EBE8D0B0, 40 bytes long.
Data: <0 êëô @ êëô > 30 01 EA EB F4 02 00 00 40 1F EA EB F4 02 00 00
{73} normal block at 0x000002F4EBEA0770, 16 bytes long.
Data: < êýáö > 80 EA FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002F4EBEA05E0, 16 bytes long.
Data: <@éýáö > 40 E9 FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002F4EBEA0310, 16 bytes long.
Data: <øWúáö > F8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002F4EBE9FCD0, 16 bytes long.
Data: <ØWúáö > D8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002F4EBEA0180, 16 bytes long.
Data: <P úáö > 50 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002F4EBE9FC80, 16 bytes long.
Data: <0 úáö > 30 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002F4EBE9FC30, 16 bytes long.
Data: <à úáö > E0 02 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002F4EBEA0270, 16 bytes long.
Data: < úáö > 10 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002F4EBEA01D0, 16 bytes long.
Data: <p úáö > 70 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002F4EBEA00E0, 16 bytes long.
Data: < Àøáö > 18 C0 F8 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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