Task 38669197
| Name | test_633-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND9630_0 |
| Workunit | 31611575 |
| Created | 25 Oct 2026, 13:55:58 UTC |
| Sent | 25 Oct 2026, 13:56:00 UTC |
| Report deadline | 30 Oct 2026, 13:56:00 UTC |
| Received | 25 Oct 2026, 14:19:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631621 |
| Run time | 22 min 9 sec |
| CPU time | 21 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,915.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.10 MB |
| Peak swap size | 11.46 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:57:06 (20836): wrapper (7.9.26016): starting
08:57:06 (20836): 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
08:57:07 (20836): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:57:07 (20836): 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\14\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\14\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
09:19:02 (20836): C:/Windows/system32/cmd.exe exited; CPU time 1291.734375
09:19:02 (20836): 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: 25161805 bytes.
Dumping objects ->
{3835207} normal block at 0x00000122FDED9640, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x00000122FDEDA0C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x00000122FDED9D40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x00000122FDED9480, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x00000122FDED9560, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x00000122FFCAA560, 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) : {3835119} normal block at 0x00000122FDEACCD0, 8 bytes long.
Data: < èý" > 00 00 E8 FD 22 01 00 00
{3833961} normal block at 0x00000122FDEAC0F0, 8 bytes long.
Data: <pãÀÿ" > 70 E3 C0 FF 22 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000122FDEA5220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000122FDEAD8F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000122FDEB2F30, 16 bytes long.
Data: < ?ëý" > 88 3F EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000122FDEB2DF0, 16 bytes long.
Data: <`?ëý" > 60 3F EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000122FDEAE660, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000122FDEB2EE0, 16 bytes long.
Data: <8?ëý" > 38 3F EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000122FDEB2DA0, 16 bytes long.
Data: < ?ëý" > 10 3F EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000122FDEB3430, 16 bytes long.
Data: <è>ëý" > E8 3E EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000122FDEB2D00, 16 bytes long.
Data: <À>ëý" > C0 3E EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000122FDEB1130, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000122FDEB32F0, 16 bytes long.
Data: < ¸éý" > 08 B8 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000122FDEAE000, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000122FDEB33E0, 16 bytes long.
Data: <à·éý" > E0 B7 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000122FDEB3160, 16 bytes long.
Data: <¸·éý" > B8 B7 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000122FDEB2CB0, 16 bytes long.
Data: < ·éý" > 90 B7 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000122FDEB2E90, 16 bytes long.
Data: <h·éý" > 68 B7 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000122FDEB3250, 16 bytes long.
Data: <@·éý" > 40 B7 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000122FDEB2D50, 16 bytes long.
Data: < ·éý" > 18 B7 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000122FDEADF40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000122FDEB3520, 16 bytes long.
Data: <ð¶éý" > F0 B6 E9 FD 22 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000122FDE9B6F0, 320 bytes long.
Data: < 5ëý" @ßêý" > 20 35 EB FD 22 01 00 00 40 DF EA FD 22 01 00 00
{276} normal block at 0x00000122FDEB2BC0, 16 bytes long.
Data: < >ëý" > A0 3E EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000122FDEB3020, 16 bytes long.
Data: <x>ëý" > 78 3E EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000122FDEAEAE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000122FDEB32A0, 16 bytes long.
Data: <P>ëý" > 50 3E EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000122FDEAE300, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000122FDEB28F0, 16 bytes long.
Data: < =ëý" > 98 3D EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000122FDEB2C60, 16 bytes long.
Data: <p=ëý" > 70 3D EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000122FDEB3570, 16 bytes long.
Data: <H=ëý" > 48 3D EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000122FDEB36B0, 16 bytes long.
Data: < =ëý" > 20 3D EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000122FDEB28A0, 16 bytes long.
Data: <ø<ëý" > F8 3C EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000122FDEB37F0, 16 bytes long.
Data: <Ð<ëý" > D0 3C EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000122FDEB31B0, 16 bytes long.
Data: < ëý" > 80 12 EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000122FDEB1280, 40 bytes long.
Data: <°1ëý" `¥Êÿ" > B0 31 EB FD 22 01 00 00 60 A5 CA FF 22 01 00 00
{262} normal block at 0x00000122FDEB2FD0, 16 bytes long.
Data: <°<ëý" > B0 3C EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000122FDEB2E40, 16 bytes long.
Data: < <ëý" > 88 3C EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000122FDEADEE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000122FDEB3070, 16 bytes long.
Data: <`<ëý" > 60 3C EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000122FDEB3C60, 992 bytes long.
Data: <p0ëý" àÞêý" > 70 30 EB FD 22 01 00 00 E0 DE EA FD 22 01 00 00
{94} normal block at 0x00000122FDEAE540, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000122FDEAC500, 16 bytes long.
Data: <P ëý" > 50 17 EB FD 22 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000122FDEB1750, 40 bytes long.
Data: < Åêý" @åêý" > 00 C5 EA FD 22 01 00 00 40 E5 EA FD 22 01 00 00
{71} normal block at 0x00000122FDEAC640, 16 bytes long.
Data: < ê ö > 80 EA 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000122FDEACA50, 16 bytes long.
Data: <@é ö > 40 E9 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000122FDEAC9B0, 16 bytes long.
Data: <øW ö > F8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000122FDEABF60, 16 bytes long.
Data: <ØW ö > D8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000122FDEACBE0, 16 bytes long.
Data: <P ö > 50 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000122FDEAC730, 16 bytes long.
Data: <0 ö > 30 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000122FDEACDC0, 16 bytes long.
Data: <à ö > E0 02 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000122FDEAC550, 16 bytes long.
Data: < ö > 10 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000122FDEACC80, 16 bytes long.
Data: <p ö > 70 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000122FDEAC6E0, 16 bytes long.
Data: < À‹ ö > 18 C0 8B 1D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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