Task 38686435
| Name | test_5-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9486_0 |
| Workunit | 31627867 |
| Created | 28 Oct 2026, 2:28:54 UTC |
| Sent | 28 Oct 2026, 2:29:00 UTC |
| Report deadline | 2 Nov 2026, 2:29:00 UTC |
| Received | 28 Oct 2026, 3:10:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647670 |
| Run time | 40 min 50 sec |
| CPU time | 38 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,117.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.85 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
03:31:00 (6568): wrapper (7.9.26016): starting
03:31:00 (6568): 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
03:31:02 (6568): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:31:02 (6568): 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\18\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\18\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
04:10:14 (6568): C:/Windows/system32/cmd.exe exited; CPU time 2310.312500
04:10:14 (6568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 40191367 bytes.
Dumping objects ->
{3835240} normal block at 0x000001C748DC4670, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001C748DC46E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000001C748DC4520, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x000001C748DC4210, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000001C748DC43D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x000001C74AA19B40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001C748E1DE30, 144 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) : {3835151} normal block at 0x000001C748DBE9D0, 8 bytes long.
Data: < ØHÇ > 00 00 D8 48 C7 01 00 00
{3834552} normal block at 0x000001C748E1DA20, 144 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001C748DBE660, 8 bytes long.
Data: <pm§JÇ > 70 6D A7 4A C7 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C748DC0680, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C748DB51A0, 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 0x000001C748DC54D0, 16 bytes long.
Data: <(^ÜHÇ > 28 5E DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C748DC4D50, 16 bytes long.
Data: < ^ÜHÇ > 00 5E DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C748DBEDF0, 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 0x000001C748DC4A30, 16 bytes long.
Data: <Ø]ÜHÇ > D8 5D DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C748DC4D00, 16 bytes long.
Data: <°]ÜHÇ > B0 5D DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C748DC49E0, 16 bytes long.
Data: < ]ÜHÇ > 88 5D DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C748DC4A80, 16 bytes long.
Data: <`]ÜHÇ > 60 5D DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C748DC4600, 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 0x000001C748DC5750, 16 bytes long.
Data: <H´ÚHÇ > 48 B4 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C748DBED30, 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 0x000001C748DC4CB0, 16 bytes long.
Data: < ´ÚHÇ > 20 B4 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C748DC4FD0, 16 bytes long.
Data: <ø³ÚHÇ > F8 B3 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C748DC5430, 16 bytes long.
Data: <гÚHÇ > D0 B3 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C748DC57F0, 16 bytes long.
Data: <¨³ÚHÇ > A8 B3 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C748DC53E0, 16 bytes long.
Data: < ³ÚHÇ > 80 B3 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C748DC5340, 16 bytes long.
Data: <X³ÚHÇ > 58 B3 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C748DBF630, 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 0x000001C748DC5660, 16 bytes long.
Data: <0³ÚHÇ > 30 B3 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C748DAB330, 320 bytes long.
Data: <`VÜHÇ 0öÛHÇ > 60 56 DC 48 C7 01 00 00 30 F6 DB 48 C7 01 00 00
{274} normal block at 0x000001C748DC50C0, 16 bytes long.
Data: <@]ÜHÇ > 40 5D DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C748DC4E40, 16 bytes long.
Data: < ]ÜHÇ > 18 5D DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C748DBF450, 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 0x000001C748DC52F0, 16 bytes long.
Data: <ð\ÜHÇ > F0 5C DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C748DBF5D0, 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 0x000001C748DC4C10, 16 bytes long.
Data: <8\ÜHÇ > 38 5C DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C748DC52A0, 16 bytes long.
Data: < \ÜHÇ > 10 5C DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C748DC4E90, 16 bytes long.
Data: <è[ÜHÇ > E8 5B DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C748DC4F30, 16 bytes long.
Data: <À[ÜHÇ > C0 5B DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C748DC4EE0, 16 bytes long.
Data: < [ÜHÇ > 98 5B DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C748DC5250, 16 bytes long.
Data: <p[ÜHÇ > 70 5B DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C748DC4BC0, 16 bytes long.
Data: <@DÜHÇ > 40 44 DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C748DC4440, 40 bytes long.
Data: <ÀKÜHÇ @›¡JÇ > C0 4B DC 48 C7 01 00 00 40 9B A1 4A C7 01 00 00
{260} normal block at 0x000001C748DC5890, 16 bytes long.
Data: <P[ÜHÇ > 50 5B DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C748DC5480, 16 bytes long.
Data: <([ÜHÇ > 28 5B DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C748DBF6F0, 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 0x000001C748DC57A0, 16 bytes long.
Data: < [ÜHÇ > 00 5B DC 48 C7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C748DC5B00, 992 bytes long.
Data: < WÜHÇ ðöÛHÇ > A0 57 DC 48 C7 01 00 00 F0 F6 DB 48 C7 01 00 00
{92} normal block at 0x000001C748DBF930, 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 0x000001C748DBE070, 16 bytes long.
Data: <°âÚHÇ > B0 E2 DA 48 C7 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001C748DAE2B0, 40 bytes long.
Data: <pàÛHÇ 0ùÛHÇ > 70 E0 DB 48 C7 01 00 00 30 F9 DB 48 C7 01 00 00
{69} normal block at 0x000001C748DBE020, 16 bytes long.
Data: < ê4 ÷ > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C748DBE7A0, 16 bytes long.
Data: <@é4 ÷ > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C748DBE2F0, 16 bytes long.
Data: <øW1 ÷ > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C748DBDD00, 16 bytes long.
Data: <ØW1 ÷ > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C748DBE700, 16 bytes long.
Data: <P 1 ÷ > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C748DBDFD0, 16 bytes long.
Data: <0 1 ÷ > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C748DBEBB0, 16 bytes long.
Data: <à 1 ÷ > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C748DBEAC0, 16 bytes long.
Data: < 1 ÷ > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C748DBE430, 16 bytes long.
Data: <p 1 ÷ > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C748DBE4D0, 16 bytes long.
Data: < À/ ÷ > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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