Task 38685447
| Name | test_441-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3934_0 |
| Workunit | 31626913 |
| Created | 27 Oct 2026, 21:05:14 UTC |
| Sent | 27 Oct 2026, 21:05:20 UTC |
| Report deadline | 1 Nov 2026, 21:05:20 UTC |
| Received | 27 Oct 2026, 21:26:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652783 |
| Run time | 20 min 41 sec |
| CPU time | 18 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,338.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.96 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:06:23 (30196): wrapper (7.9.26016): starting
17:06:23 (30196): 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
17:06:24 (30196): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:06:24 (30196): 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\11\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\11\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
17:26:15 (30196): C:/Windows/system32/cmd.exe exited; CPU time 1106.250000
17:26:15 (30196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20458701 bytes.
Dumping objects ->
{3835237} normal block at 0x000002C76178C880, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000002C76178CD50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x000002C76178D1B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835204} normal block at 0x000002C75F9A47B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x000002C75F9A46D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835162} normal block at 0x000002C7617D3C40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x000002C7617EE380, 102 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) : {3835148} normal block at 0x000002C75F9A1530, 8 bytes long.
Data: < ì_Ç > 00 00 EC 5F C7 02 00 00
{3834547} normal block at 0x000002C7617EE6F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000002C75F9A0EA0, 8 bytes long.
Data: < ¤~aÇ > 80 A4 7E 61 C7 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002C75F996240, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002C75F9978B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002C75F9A5940, 16 bytes long.
Data: <ØTš_Ç > D8 54 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002C75F9A5800, 16 bytes long.
Data: <°Tš_Ç > B0 54 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002C75F9A0260, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000002C75F9A5DF0, 16 bytes long.
Data: < Tš_Ç > 88 54 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C75F9A5E90, 16 bytes long.
Data: <`Tš_Ç > 60 54 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002C75F9A58F0, 16 bytes long.
Data: <8Tš_Ç > 38 54 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C75F9A6570, 16 bytes long.
Data: < Tš_Ç > 10 54 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C75F9A4820, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002C75F9A6430, 16 bytes long.
Data: <øŸ _Ç > F8 9F 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C75F99F900, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002C75F9A60C0, 16 bytes long.
Data: <П _Ç > D0 9F 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C75F9A5C10, 16 bytes long.
Data: <¨Ÿ _Ç > A8 9F 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C75F9A5670, 16 bytes long.
Data: < Ÿ _Ç > 80 9F 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C75F9A56C0, 16 bytes long.
Data: <XŸ _Ç > 58 9F 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C75F9A5FD0, 16 bytes long.
Data: <0Ÿ _Ç > 30 9F 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C75F9A6200, 16 bytes long.
Data: < Ÿ _Ç > 08 9F 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C75F99FD80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002C75F9A57B0, 16 bytes long.
Data: <àž _Ç > E0 9E 99 5F C7 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C75F999EE0, 320 bytes long.
Data: <°Wš_Ç ý _Ç > B0 57 9A 5F C7 02 00 00 80 FD 99 5F C7 02 00 00
{275} normal block at 0x000002C75F9A6070, 16 bytes long.
Data: <ðSš_Ç > F0 53 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C75F9A5DA0, 16 bytes long.
Data: <ÈSš_Ç > C8 53 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C75F99FDE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002C75F9A5A80, 16 bytes long.
Data: < Sš_Ç > A0 53 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C75F99F8A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002C75F9A6020, 16 bytes long.
Data: <èRš_Ç > E8 52 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C75F9A63E0, 16 bytes long.
Data: <ÀRš_Ç > C0 52 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C75F9A6520, 16 bytes long.
Data: < Rš_Ç > 98 52 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C75F9A5620, 16 bytes long.
Data: <pRš_Ç > 70 52 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C75F9A1440, 16 bytes long.
Data: <HRš_Ç > 48 52 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C75F9A13F0, 16 bytes long.
Data: < Rš_Ç > 20 52 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C75F9A1350, 16 bytes long.
Data: <pIš_Ç > 70 49 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C75F9A4970, 40 bytes long.
Data: <P š_Ç @<}aÇ > 50 13 9A 5F C7 02 00 00 40 3C 7D 61 C7 02 00 00
{261} normal block at 0x000002C75F9A13A0, 16 bytes long.
Data: < Rš_Ç > 00 52 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C75F9A10D0, 16 bytes long.
Data: <ØQš_Ç > D8 51 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C75F9A03E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002C75F9A1120, 16 bytes long.
Data: <°Qš_Ç > B0 51 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002C75F9A51B0, 992 bytes long.
Data: < š_Ç à š_Ç > 20 11 9A 5F C7 02 00 00 E0 03 9A 5F C7 02 00 00
{93} normal block at 0x000002C75F99FFC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002C75F9A0810, 16 bytes long.
Data: < Iš_Ç > 00 49 9A 5F C7 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002C75F9A4900, 40 bytes long.
Data: < š_Ç Àÿ _Ç > 10 08 9A 5F C7 02 00 00 C0 FF 99 5F C7 02 00 00
{70} normal block at 0x000002C75F9A0CC0, 16 bytes long.
Data: < ê'úö > 80 EA 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002C75F9A0AE0, 16 bytes long.
Data: <@é'úö > 40 E9 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002C75F9A0C70, 16 bytes long.
Data: <øW$úö > F8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C75F9A0E50, 16 bytes long.
Data: <ØW$úö > D8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C75F9A1260, 16 bytes long.
Data: <P $úö > 50 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C75F9A0C20, 16 bytes long.
Data: <0 $úö > 30 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002C75F9A11C0, 16 bytes long.
Data: <à $úö > E0 02 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002C75F9A0BD0, 16 bytes long.
Data: < $úö > 10 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002C75F9A09F0, 16 bytes long.
Data: <p $úö > 70 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002C75F9A0A90, 16 bytes long.
Data: < À"úö > 18 C0 22 FA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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