Task 38682933
| Name | test_402-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7507_0 |
| Workunit | 31624524 |
| Created | 27 Oct 2026, 9:45:03 UTC |
| Sent | 27 Oct 2026, 9:45:08 UTC |
| Report deadline | 1 Nov 2026, 9:45:08 UTC |
| Received | 27 Oct 2026, 10:23:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 514949 |
| Run time | 36 min 29 sec |
| CPU time | 34 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,343.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 635.50 MB |
| Peak swap size | 5.30 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:47:13 (10332): wrapper (7.9.26016): starting
04:47:13 (10332): 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
04:47:14 (10332): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:47:14 (10332): 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 'D:\ProgramData\BOINC\slots\3\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 'D:\ProgramData\BOINC\slots\3\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
05:22:50 (10332): C:/Windows/system32/cmd.exe exited; CPU time 2085.593750
05:22:50 (10332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 34453039 bytes.
Dumping objects ->
{3835319} normal block at 0x00000256268D6680, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835308} normal block at 0x00000256268D6F40, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835297} normal block at 0x00000256268D6D80, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835286} normal block at 0x0000025624B8D950, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000025624B8D8E0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835244} normal block at 0x00000256267ECC00, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x00000256268D9E70, 135 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) : {3835230} normal block at 0x0000025624B87750, 8 bytes long.
Data: < ³$V > 00 00 B3 24 56 02 00 00
{3834589} normal block at 0x00000256268D9310, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x0000025624B86DF0, 8 bytes long.
Data: <àW &V > E0 57 8D 26 56 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000025624B909E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025624B7B3A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000025624B92830, 16 bytes long.
Data: <(@¹$V > 28 40 B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025624B926F0, 16 bytes long.
Data: < @¹$V > 00 40 B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025624B8C650, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000025624B92650, 16 bytes long.
Data: <Ø?¹$V > D8 3F B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025624B92560, 16 bytes long.
Data: <°?¹$V > B0 3F B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025624B91B60, 16 bytes long.
Data: < ?¹$V > 88 3F B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025624B91AC0, 16 bytes long.
Data: <`?¹$V > 60 3F B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025624B8DBF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000025624B91FC0, 16 bytes long.
Data: <HÒ¸$V > 48 D2 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025624B8BE10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000025624B924C0, 16 bytes long.
Data: < Ò¸$V > 20 D2 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025624B91F20, 16 bytes long.
Data: <øѸ$V > F8 D1 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025624B92380, 16 bytes long.
Data: <ÐѸ$V > D0 D1 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025624B92790, 16 bytes long.
Data: <¨Ñ¸$V > A8 D1 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025624B92330, 16 bytes long.
Data: < Ѹ$V > 80 D1 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025624B91ED0, 16 bytes long.
Data: <XѸ$V > 58 D1 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025624B8BB10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000025624B92880, 16 bytes long.
Data: <0Ѹ$V > 30 D1 B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025624B8D130, 320 bytes long.
Data: < (¹$V »¸$V > 80 28 B9 24 56 02 00 00 10 BB B8 24 56 02 00 00
{270} normal block at 0x0000025624B92740, 16 bytes long.
Data: <@?¹$V > 40 3F B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025624B926A0, 16 bytes long.
Data: < ?¹$V > 18 3F B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025624B8BD50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000025624B920B0, 16 bytes long.
Data: <ð>¹$V > F0 3E B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025624B8C230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000025624B91D40, 16 bytes long.
Data: <8>¹$V > 38 3E B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025624B92420, 16 bytes long.
Data: < >¹$V > 10 3E B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025624B91930, 16 bytes long.
Data: <è=¹$V > E8 3D B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025624B922E0, 16 bytes long.
Data: <À=¹$V > C0 3D B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025624B91BB0, 16 bytes long.
Data: < =¹$V > 98 3D B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025624B92600, 16 bytes long.
Data: <p=¹$V > 70 3D B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025624B92290, 16 bytes long.
Data: < Û¸$V > 80 DB B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025624B8DB80, 40 bytes long.
Data: < "¹$V Ì~&V > 90 22 B9 24 56 02 00 00 00 CC 7E 26 56 02 00 00
{256} normal block at 0x0000025624B91D90, 16 bytes long.
Data: <P=¹$V > 50 3D B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000025624B91A70, 16 bytes long.
Data: <(=¹$V > 28 3D B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000025624B8C170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000025624B921F0, 16 bytes long.
Data: < =¹$V > 00 3D B9 24 56 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000025624B93D00, 992 bytes long.
Data: <ð!¹$V pÁ¸$V > F0 21 B9 24 56 02 00 00 70 C1 B8 24 56 02 00 00
{88} normal block at 0x0000025624B8C110, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000025624B87700, 16 bytes long.
Data: <@ݸ$V > 40 DD B8 24 56 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000025624B8DD40, 40 bytes long.
Data: < w¸$V Á¸$V > 00 77 B8 24 56 02 00 00 10 C1 B8 24 56 02 00 00
{65} normal block at 0x0000025624B86C10, 16 bytes long.
Data: < ê ÷ > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025624B87340, 16 bytes long.
Data: <@é ÷ > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025624B87250, 16 bytes long.
Data: <øW ÷ > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025624B872A0, 16 bytes long.
Data: <ØW ÷ > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025624B876B0, 16 bytes long.
Data: <P ÷ > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025624B87840, 16 bytes long.
Data: <0 ÷ > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000025624B878E0, 16 bytes long.
Data: <à ÷ > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000025624B86DA0, 16 bytes long.
Data: < ÷ > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000025624B86E90, 16 bytes long.
Data: <p ÷ > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000025624B86B70, 16 bytes long.
Data: < À ÷ > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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