Task 38687517
| Name | test_356-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7656_1 |
| Workunit | 31628682 |
| Created | 28 Oct 2026, 8:16:17 UTC |
| Sent | 28 Oct 2026, 8:16:22 UTC |
| Report deadline | 2 Nov 2026, 8:16:22 UTC |
| Received | 28 Oct 2026, 8:59:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646098 |
| Run time | 42 min 8 sec |
| CPU time | 38 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,607.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.95 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 4.12 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:17:51 (31052): wrapper (7.9.26016): starting
02:17:51 (31052): 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
02:17:53 (31052): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:17:53 (31052): 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\19\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\19\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
02:58:39 (31052): C:/Windows/system32/cmd.exe exited; CPU time 2325.031250
02:58:39 (31052): 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: 57925339 bytes.
Dumping objects ->
{3835483} normal block at 0x000001DBF4EDAB70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835472} normal block at 0x000001DBF4EB49B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835461} normal block at 0x000001DBF4EB4860, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835450} normal block at 0x000001DBF4EB4630, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835439} normal block at 0x000001DBF4EB45C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835408} normal block at 0x000001DBF6D1C8B0, 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) : {3835395} normal block at 0x000001DBF4EB0A60, 8 bytes long.
Data: < IõÛ > 00 00 49 F5 DB 01 00 00
{3833957} normal block at 0x000001DBF4EB0DD0, 8 bytes long.
Data: <ð)ßöÛ > F0 29 DF F6 DB 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DBF4EA57C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DBF4EA6CA0, 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 0x000001DBF4EB5070, 16 bytes long.
Data: <ø^ëôÛ > F8 5E EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DBF4EB5A70, 16 bytes long.
Data: <Ð^ëôÛ > D0 5E EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DBF4EAF7D0, 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 0x000001DBF4EB5020, 16 bytes long.
Data: <¨^ëôÛ > A8 5E EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DBF4EB5840, 16 bytes long.
Data: < ^ëôÛ > 80 5E EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DBF4EB5610, 16 bytes long.
Data: <X^ëôÛ > 58 5E EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DBF4EB4CB0, 16 bytes long.
Data: <0^ëôÛ > 30 5E EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DBF4EB4A20, 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 0x000001DBF4EB58E0, 16 bytes long.
Data: < þéôÛ > 18 FE E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DBF4EAF290, 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 0x000001DBF4EB4F80, 16 bytes long.
Data: <ðýéôÛ > F0 FD E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DBF4EB4D00, 16 bytes long.
Data: <ÈýéôÛ > C8 FD E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DBF4EB57F0, 16 bytes long.
Data: < ýéôÛ > A0 FD E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DBF4EB59D0, 16 bytes long.
Data: <xýéôÛ > 78 FD E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DBF4EB4F30, 16 bytes long.
Data: <PýéôÛ > 50 FD E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DBF4EB51B0, 16 bytes long.
Data: <(ýéôÛ > 28 FD E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DBF4EAF4D0, 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 0x000001DBF4EB4EE0, 16 bytes long.
Data: < ýéôÛ > 00 FD E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DBF4E9FD00, 320 bytes long.
Data: <àNëôÛ ÐôêôÛ > E0 4E EB F4 DB 01 00 00 D0 F4 EA F4 DB 01 00 00
{274} normal block at 0x000001DBF4EB57A0, 16 bytes long.
Data: < ^ëôÛ > 10 5E EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DBF4EB4E40, 16 bytes long.
Data: <è]ëôÛ > E8 5D EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DBF4EAFC50, 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 0x000001DBF4EB55C0, 16 bytes long.
Data: <À]ëôÛ > C0 5D EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DBF4EAF710, 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 0x000001DBF4EB5890, 16 bytes long.
Data: < ]ëôÛ > 08 5D EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DBF4EB4C60, 16 bytes long.
Data: <à\ëôÛ > E0 5C EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DBF4EB5480, 16 bytes long.
Data: <¸\ëôÛ > B8 5C EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DBF4EB4DF0, 16 bytes long.
Data: < \ëôÛ > 90 5C EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DBF4EB4DA0, 16 bytes long.
Data: <h\ëôÛ > 68 5C EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DBF4EB50C0, 16 bytes long.
Data: <@\ëôÛ > 40 5C EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DBF4EB4E90, 16 bytes long.
Data: <ÐHëôÛ > D0 48 EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DBF4EB48D0, 40 bytes long.
Data: < NëôÛ °ÈÑöÛ > 90 4E EB F4 DB 01 00 00 B0 C8 D1 F6 DB 01 00 00
{260} normal block at 0x000001DBF4EB4D50, 16 bytes long.
Data: < \ëôÛ > 20 5C EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DBF4EB4FD0, 16 bytes long.
Data: <ø[ëôÛ > F8 5B EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DBF4EAF470, 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 0x000001DBF4EB5430, 16 bytes long.
Data: <Ð[ëôÛ > D0 5B EB F4 DB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001DBF4EB5BD0, 992 bytes long.
Data: <0TëôÛ pôêôÛ > 30 54 EB F4 DB 01 00 00 70 F4 EA F4 DB 01 00 00
{92} normal block at 0x000001DBF4EAF5F0, 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 0x000001DBF4EB0740, 16 bytes long.
Data: < ÅéôÛ > 10 C5 E9 F4 DB 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001DBF4E9C510, 40 bytes long.
Data: <@ ëôÛ ðõêôÛ > 40 07 EB F4 DB 01 00 00 F0 F5 EA F4 DB 01 00 00
{69} normal block at 0x000001DBF4EB03D0, 16 bytes long.
Data: < ê­`ö > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DBF4EB02E0, 16 bytes long.
Data: <@é­`ö > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DBF4EB0650, 16 bytes long.
Data: <øWª`ö > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DBF4EB0D80, 16 bytes long.
Data: <ØWª`ö > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DBF4EB0F10, 16 bytes long.
Data: <P ª`ö > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DBF4EB0380, 16 bytes long.
Data: <0 ª`ö > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DBF4EB0EC0, 16 bytes long.
Data: <à ª`ö > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DBF4EB05B0, 16 bytes long.
Data: < ª`ö > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DBF4EB0330, 16 bytes long.
Data: <p ª`ö > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DBF4EB0C40, 16 bytes long.
Data: < À¨`ö > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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