Task 38679117
| Name | test_309-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1013_0 |
| Workunit | 31620908 |
| Created | 26 Oct 2026, 19:31:12 UTC |
| Sent | 26 Oct 2026, 19:31:19 UTC |
| Report deadline | 31 Oct 2026, 19:31:19 UTC |
| Received | 26 Oct 2026, 21:48:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 634205 |
| Run time | 1 hours 1 min 10 sec |
| CPU time | 59 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 763.11 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
07:48:50 (42560): wrapper (7.9.26016): starting
07:48:50 (42560): 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
07:48:51 (42560): Library/usr/bin/tar.exe exited; CPU time 0.031250
07:48:51 (42560): 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\15\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\15\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
08:48:18 (42560): C:/Windows/system32/cmd.exe exited; CPU time 3582.468750
08:48:18 (42560): 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: 77383567 bytes.
Dumping objects ->
{3835521} normal block at 0x00000165AB8E9380, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x00000165AB8E8F90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x00000165AB8E9460, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835488} normal block at 0x00000165AB8E93F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x00000165AB8E9310, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835446} normal block at 0x00000165AD5B5D70, 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) : {3835433} normal block at 0x00000165AB8C1430, 8 bytes long.
Data: < †«e > 00 00 86 AB 65 01 00 00
{3833971} normal block at 0x00000165AB8C0A80, 8 bytes long.
Data: <ðjd­e > F0 6A 64 AD 65 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000165AB8B6DC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000165AB8B7B50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000165AB8C6130, 16 bytes long.
Data: <XfŒ«e > 58 66 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000165AB8C5EB0, 16 bytes long.
Data: <0fŒ«e > 30 66 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000165AB8BFFA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000165AB8C53C0, 16 bytes long.
Data: < fŒ«e > 08 66 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000165AB8C5E10, 16 bytes long.
Data: <àeŒ«e > E0 65 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000165AB8C5F50, 16 bytes long.
Data: <¸eŒ«e > B8 65 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000165AB8C5640, 16 bytes long.
Data: < eŒ«e > 90 65 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000165AB8BE5A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000165AB8C60E0, 16 bytes long.
Data: <8þŠ«e > 38 FE 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000165AB8C0660, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000165AB8C5370, 16 bytes long.
Data: < þŠ«e > 10 FE 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000165AB8C5550, 16 bytes long.
Data: <èýŠ«e > E8 FD 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000165AB8C5960, 16 bytes long.
Data: <ÀýŠ«e > C0 FD 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000165AB8C6090, 16 bytes long.
Data: < ýŠ«e > 98 FD 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000165AB8C5A50, 16 bytes long.
Data: <pýŠ«e > 70 FD 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000165AB8C6180, 16 bytes long.
Data: <HýŠ«e > 48 FD 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000165AB8C0600, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000165AB8C5DC0, 16 bytes long.
Data: < ýŠ«e > 20 FD 8A AB 65 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000165AB8AFD20, 320 bytes long.
Data: <À]Œ«e Œ«e > C0 5D 8C AB 65 01 00 00 00 06 8C AB 65 01 00 00
{281} normal block at 0x00000165AB8C62C0, 16 bytes long.
Data: <peŒ«e > 70 65 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000165AB8C5780, 16 bytes long.
Data: <HeŒ«e > 48 65 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000165AB8C07E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000165AB8C5D70, 16 bytes long.
Data: < eŒ«e > 20 65 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000165AB8BFF40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000165AB8C5CD0, 16 bytes long.
Data: <hdŒ«e > 68 64 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000165AB8C5FF0, 16 bytes long.
Data: <@dŒ«e > 40 64 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000165AB8C5B90, 16 bytes long.
Data: < dŒ«e > 18 64 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000165AB8C5A00, 16 bytes long.
Data: <ðcŒ«e > F0 63 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000165AB8C5690, 16 bytes long.
Data: <ÈcŒ«e > C8 63 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000165AB8C5AF0, 16 bytes long.
Data: < cŒ«e > A0 63 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000165AB8C5730, 16 bytes long.
Data: <Àä‹«e > C0 E4 8B AB 65 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000165AB8BE4C0, 40 bytes long.
Data: <0WŒ«e p][­e > 30 57 8C AB 65 01 00 00 70 5D 5B AD 65 01 00 00
{267} normal block at 0x00000165AB8C5E60, 16 bytes long.
Data: < cŒ«e > 80 63 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000165AB8C5D20, 16 bytes long.
Data: <XcŒ«e > 58 63 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000165AB8C05A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000165AB8C6040, 16 bytes long.
Data: <0cŒ«e > 30 63 8C AB 65 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000165AB8C6330, 992 bytes long.
Data: <@`Œ«e   Œ«e > 40 60 8C AB 65 01 00 00 A0 05 8C AB 65 01 00 00
{99} normal block at 0x00000165AB8BFCA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000165AB8C13E0, 16 bytes long.
Data: < â‹«e > 20 E2 8B AB 65 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000165AB8BE220, 40 bytes long.
Data: <à Œ«e  ü‹«e > E0 13 8C AB 65 01 00 00 A0 FC 8B AB 65 01 00 00
{76} normal block at 0x00000165AB8C0F30, 16 bytes long.
Data: < ê<x÷ > 80 EA 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000165AB8C1480, 16 bytes long.
Data: <@é<x÷ > 40 E9 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000165AB8C0940, 16 bytes long.
Data: <øW9x÷ > F8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000165AB8C0CB0, 16 bytes long.
Data: <ØW9x÷ > D8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000165AB8C1340, 16 bytes long.
Data: <P 9x÷ > 50 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000165AB8C09E0, 16 bytes long.
Data: <0 9x÷ > 30 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000165AB8C0EE0, 16 bytes long.
Data: <à 9x÷ > E0 02 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000165AB8C1070, 16 bytes long.
Data: < 9x÷ > 10 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000165AB8C1570, 16 bytes long.
Data: <p 9x÷ > 70 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000165AB8C0E40, 16 bytes long.
Data: < À7x÷ > 18 C0 37 78 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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