Task 38680718
| Name | test_635-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6699_0 |
| Workunit | 31622426 |
| Created | 27 Oct 2026, 0:57:38 UTC |
| Sent | 27 Oct 2026, 0:57:51 UTC |
| Report deadline | 1 Nov 2026, 0:57:51 UTC |
| Received | 27 Oct 2026, 1:18:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651810 |
| Run time | 17 min 39 sec |
| CPU time | 16 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.61 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:00:53 (16504): wrapper (7.9.26016): starting
02:00:53 (16504): 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
02:00:54 (16504): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:00:54 (16504): 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\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 'C:\ProgramData\BOINC\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
02:17:54 (16504): C:/Windows/system32/cmd.exe exited; CPU time 1015.406250
02:17:54 (16504): 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: 15780163 bytes.
Dumping objects ->
{3835247} normal block at 0x0000028898309340, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x00000288983092D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x00000288983091F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835214} normal block at 0x0000028898309180, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x0000028898309030, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835172} normal block at 0x000002889A04D720, 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) : {3835159} normal block at 0x00000288982FF6C0, 8 bytes long.
Data: < + > 00 00 2B 98 88 02 00 00
{3833965} normal block at 0x00000288983002F0, 8 bytes long.
Data: < Á š > A0 C1 09 9A 88 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000028898304570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000288982EF4B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002889830A4E0, 16 bytes long.
Data: <h©0 > 68 A9 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002889830A260, 16 bytes long.
Data: <@©0 > 40 A9 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028898301820, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002889830A120, 16 bytes long.
Data: < ©0 > 18 A9 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002889830A210, 16 bytes long.
Data: <ð¨0 > F0 A8 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000288983098B0, 16 bytes long.
Data: <Ȩ0 > C8 A8 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028898309C70, 16 bytes long.
Data: < ¨0 > A0 A8 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028898309260, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000028898309A40, 16 bytes long.
Data: <8³/ > 38 B3 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028898301940, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002889830A3A0, 16 bytes long.
Data: < ³/ > 10 B3 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002889830A530, 16 bytes long.
Data: <è / > E8 B2 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002889830A5D0, 16 bytes long.
Data: <À / > C0 B2 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002889830A580, 16 bytes long.
Data: < / > 98 B2 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028898309EA0, 16 bytes long.
Data: <p / > 70 B2 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000288983097C0, 16 bytes long.
Data: <H / > 48 B2 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028898302420, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000028898309860, 16 bytes long.
Data: < / > 20 B2 2F 98 88 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000288982FB220, 320 bytes long.
Data: <` 0 $0 > 60 98 30 98 88 02 00 00 20 24 30 98 88 02 00 00
{278} normal block at 0x000002889830A3F0, 16 bytes long.
Data: < ¨0 > 80 A8 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000288983096D0, 16 bytes long.
Data: <X¨0 > 58 A8 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028898301A60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000028898309E00, 16 bytes long.
Data: <0¨0 > 30 A8 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028898301E80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002889830A2B0, 16 bytes long.
Data: <x§0 > 78 A7 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002889830A300, 16 bytes long.
Data: <P§0 > 50 A7 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028898309810, 16 bytes long.
Data: <(§0 > 28 A7 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000288983099F0, 16 bytes long.
Data: < §0 > 00 A7 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028898309DB0, 16 bytes long.
Data: <ئ0 > D8 A6 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028898309680, 16 bytes long.
Data: <°¦0 > B0 A6 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002889830A170, 16 bytes long.
Data: <°“0 > B0 93 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000288983093B0, 40 bytes long.
Data: <p 0 × š > 70 A1 30 98 88 02 00 00 20 D7 04 9A 88 02 00 00
{264} normal block at 0x0000028898309B80, 16 bytes long.
Data: < ¦0 > 90 A6 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028898309BD0, 16 bytes long.
Data: <h¦0 > 68 A6 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028898302480, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000028898309720, 16 bytes long.
Data: <@¦0 > 40 A6 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002889830A640, 992 bytes long.
Data: < —0 $0 > 20 97 30 98 88 02 00 00 80 24 30 98 88 02 00 00
{96} normal block at 0x0000028898301C40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000288982FFF80, 16 bytes long.
Data: <@ 0 > 40 16 30 98 88 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000028898301640, 40 bytes long.
Data: < / @ 0 > 80 FF 2F 98 88 02 00 00 40 1C 30 98 88 02 00 00
{73} normal block at 0x0000028898300160, 16 bytes long.
Data: < ê ö > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000288982FFA30, 16 bytes long.
Data: <@é ö > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000288982FFEE0, 16 bytes long.
Data: <øWü ö > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000288982FF5D0, 16 bytes long.
Data: <ØWü ö > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028898300070, 16 bytes long.
Data: <P ü ö > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000288982FFB70, 16 bytes long.
Data: <0 ü ö > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000288982FF9E0, 16 bytes long.
Data: <à ü ö > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000288983001B0, 16 bytes long.
Data: < ü ö > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000288982FF580, 16 bytes long.
Data: <p ü ö > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000288982FF800, 16 bytes long.
Data: < Àú ö > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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