Task 38680764
| Name | test_433-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2747_0 |
| Workunit | 31622465 |
| Created | 27 Oct 2026, 1:23:04 UTC |
| Sent | 27 Oct 2026, 1:23:11 UTC |
| Report deadline | 1 Nov 2026, 1:23:11 UTC |
| Received | 27 Oct 2026, 2:10:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550864 |
| Run time | 45 min 38 sec |
| CPU time | 43 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 657.91 MB |
| Peak swap size | 3.69 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:24:36 (8052): wrapper (7.9.26016): starting
21:24:37 (8052): 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
21:24:49 (8052): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:24:49 (8052): 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 'P:\BOINC\data\slots\1\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 'P:\BOINC\data\slots\1\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
22:09:45 (8052): C:/Windows/system32/cmd.exe exited; CPU time 2606.531250
22:09:45 (8052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 35610537 bytes.
Dumping objects ->
{3835192} normal block at 0x00000149B4255BC0, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835181} normal block at 0x00000149B5DB5C50, 32 bytes long.
Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835170} normal block at 0x00000149B5DB5D10, 32 bytes long.
Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835159} normal block at 0x00000149B5DB5E90, 32 bytes long.
Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835148} normal block at 0x00000149B5DB5DD0, 32 bytes long.
Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C
{3835117} normal block at 0x00000149B4255D80, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x00000149B4226FA0, 8 bytes long.
Data: < ´I > 00 00 20 B4 49 01 00 00
{3833953} normal block at 0x00000149B42274A0, 8 bytes long.
Data: <àƒÛµI > E0 83 DB B5 49 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000149B42302D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000149B421ABB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000149B4231C20, 16 bytes long.
Data: < 9#´I > 18 39 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000149B4231F90, 16 bytes long.
Data: <ð8#´I > F0 38 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000149B422CB70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000149B4231B30, 16 bytes long.
Data: <È8#´I > C8 38 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000149B4231AE0, 16 bytes long.
Data: < 8#´I > A0 38 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000149B42320D0, 16 bytes long.
Data: <x8#´I > 78 38 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000149B4231FE0, 16 bytes long.
Data: <P8#´I > 50 38 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000149B422B810, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000149B4231220, 16 bytes long.
Data: < Æ"´I > 98 C6 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000149B422CB10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000149B42319F0, 16 bytes long.
Data: <pÆ"´I > 70 C6 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000149B42319A0, 16 bytes long.
Data: <HÆ"´I > 48 C6 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000149B4231EF0, 16 bytes long.
Data: < Æ"´I > 20 C6 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000149B4231BD0, 16 bytes long.
Data: <øÅ"´I > F8 C5 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000149B4231EA0, 16 bytes long.
Data: <ÐÅ"´I > D0 C5 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000149B4231950, 16 bytes long.
Data: <¨Å"´I > A8 C5 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000149B422D050, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000149B4231900, 16 bytes long.
Data: < Å"´I > 80 C5 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000149B422C580, 320 bytes long.
Data: < #´I PÐ"´I > 00 19 23 B4 49 01 00 00 50 D0 22 B4 49 01 00 00
{272} normal block at 0x00000149B4231810, 16 bytes long.
Data: <08#´I > 30 38 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000149B4231860, 16 bytes long.
Data: < 8#´I > 08 38 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000149B422CFF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000149B4231770, 16 bytes long.
Data: <à7#´I > E0 37 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000149B422CF90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000149B4231680, 16 bytes long.
Data: <(7#´I > 28 37 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000149B4231A90, 16 bytes long.
Data: < 7#´I > 00 37 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000149B42315E0, 16 bytes long.
Data: <Ø6#´I > D8 36 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000149B4231A40, 16 bytes long.
Data: <°6#´I > B0 36 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000149B4231590, 16 bytes long.
Data: < 6#´I > 88 36 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000149B4231B80, 16 bytes long.
Data: <`6#´I > 60 36 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000149B4231630, 16 bytes long.
Data: <`¹"´I > 60 B9 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000149B422B960, 40 bytes long.
Data: <0 #´I ]%´I > 30 16 23 B4 49 01 00 00 80 5D 25 B4 49 01 00 00
{258} normal block at 0x00000149B4231540, 16 bytes long.
Data: <@6#´I > 40 36 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000149B4231450, 16 bytes long.
Data: < 6#´I > 18 36 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000149B422CD50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000149B42313B0, 16 bytes long.
Data: <ð5#´I > F0 35 23 B4 49 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000149B42335F0, 992 bytes long.
Data: <° #´I PÍ"´I > B0 13 23 B4 49 01 00 00 50 CD 22 B4 49 01 00 00
{90} normal block at 0x00000149B422D230, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000149B4226AF0, 16 bytes long.
Data: < ¸"´I > 80 B8 22 B4 49 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000149B422B880, 40 bytes long.
Data: <ðj"´I 0Ò"´I > F0 6A 22 B4 49 01 00 00 30 D2 22 B4 49 01 00 00
{67} normal block at 0x00000149B4226E10, 16 bytes long.
Data: < ê[ÿ÷ > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000149B4226F50, 16 bytes long.
Data: <@é[ÿ÷ > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000149B42269B0, 16 bytes long.
Data: <øWXÿ÷ > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000149B4227400, 16 bytes long.
Data: <ØWXÿ÷ > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000149B4226C80, 16 bytes long.
Data: <P Xÿ÷ > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000149B42270E0, 16 bytes long.
Data: <0 Xÿ÷ > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000149B4227130, 16 bytes long.
Data: <à Xÿ÷ > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000149B4226640, 16 bytes long.
Data: < Xÿ÷ > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000149B4227450, 16 bytes long.
Data: <p Xÿ÷ > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000149B4226960, 16 bytes long.
Data: < ÀVÿ÷ > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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