Task 38676031
| Name | test_245-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6089_0 |
| Workunit | 31617967 |
| Created | 26 Oct 2026, 10:03:49 UTC |
| Sent | 26 Oct 2026, 10:03:51 UTC |
| Report deadline | 31 Oct 2026, 10:03:51 UTC |
| Received | 26 Oct 2026, 11:07:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630349 |
| Run time | 18 min 7 sec |
| CPU time | 16 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 52,227.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 758.84 MB |
| Peak swap size | 11.55 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:49:46 (38304): wrapper (7.9.26016): starting
03:49:46 (38304): 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
03:49:48 (38304): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:49:48 (38304): 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\5\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\5\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: Exiting with failure status due to previous errors
04:07:03 (38304): C:/Windows/system32/cmd.exe exited; CPU time 978.906250
04:07:03 (38304): 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: 25744173 bytes.
Dumping objects ->
{3835512} normal block at 0x00000241B56A4E20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x00000241B56A5440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x00000241B56A54B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x00000241B56A4E90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x00000241B56A4DB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x00000241B74E9030, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835426} normal block at 0x00000241B74FF260, 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) : {3835423} normal block at 0x00000241B569F610, 8 bytes long.
Data: < ÔµA > 00 00 D4 B5 41 02 00 00
{3834678} normal block at 0x00000241B74FEFA0, 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 0x00000241B569F9D0, 8 bytes long.
Data: < ÚhµA > A0 DA 68 B5 41 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000241B569DB50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000241B56968C0, 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 0x00000241B56A60A0, 16 bytes long.
Data: <¨ljµA > A8 6C 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000241B56A59C0, 16 bytes long.
Data: < ljµA > 80 6C 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000241B56A0AB0, 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 0x00000241B56A6410, 16 bytes long.
Data: <XljµA > 58 6C 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000241B56A5A60, 16 bytes long.
Data: <0ljµA > 30 6C 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000241B56A6000, 16 bytes long.
Data: < ljµA > 08 6C 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000241B56A6050, 16 bytes long.
Data: <àkjµA > E0 6B 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000241B56A4FE0, 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 0x00000241B56A62D0, 16 bytes long.
Data: <øõhµA > F8 F5 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000241B56A0990, 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 0x00000241B56A5F10, 16 bytes long.
Data: <ÐõhµA > D0 F5 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000241B56A6190, 16 bytes long.
Data: <¨õhµA > A8 F5 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000241B56A6500, 16 bytes long.
Data: < õhµA > 80 F5 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000241B56A6910, 16 bytes long.
Data: <XõhµA > 58 F5 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000241B56A5E70, 16 bytes long.
Data: <0õhµA > 30 F5 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000241B56A6460, 16 bytes long.
Data: < õhµA > 08 F5 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000241B56A04B0, 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 0x00000241B56A6730, 16 bytes long.
Data: <àôhµA > E0 F4 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000241B568F4E0, 320 bytes long.
Data: <0gjµA ° jµA > 30 67 6A B5 41 02 00 00 B0 04 6A B5 41 02 00 00
{275} normal block at 0x00000241B56A66E0, 16 bytes long.
Data: <ÀkjµA > C0 6B 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000241B56A5AB0, 16 bytes long.
Data: < kjµA > 98 6B 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000241B56A08D0, 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 0x00000241B56A5C40, 16 bytes long.
Data: <pkjµA > 70 6B 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000241B569FE50, 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 0x00000241B56A5BF0, 16 bytes long.
Data: <¸jjµA > B8 6A 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000241B56A5C90, 16 bytes long.
Data: < jjµA > 90 6A 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000241B56A68C0, 16 bytes long.
Data: <hjjµA > 68 6A 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000241B56A6690, 16 bytes long.
Data: <@jjµA > 40 6A 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000241B56A5CE0, 16 bytes long.
Data: < jjµA > 18 6A 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000241B56A5F60, 16 bytes long.
Data: <ðijµA > F0 69 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000241B56A6550, 16 bytes long.
Data: <0QjµA > 30 51 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000241B56A5130, 40 bytes long.
Data: <PejµA 0 N·A > 50 65 6A B5 41 02 00 00 30 90 4E B7 41 02 00 00
{261} normal block at 0x00000241B56A5E20, 16 bytes long.
Data: <ÐijµA > D0 69 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000241B56A64B0, 16 bytes long.
Data: <¨ijµA > A8 69 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000241B56A0870, 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 0x00000241B56A5BA0, 16 bytes long.
Data: < ijµA > 80 69 6A B5 41 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000241B56A6980, 992 bytes long.
Data: < [jµA p jµA > A0 5B 6A B5 41 02 00 00 70 08 6A B5 41 02 00 00
{93} normal block at 0x00000241B56A0630, 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 0x00000241B569F070, 16 bytes long.
Data: < èhµA > 90 E8 68 B5 41 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000241B568E890, 40 bytes long.
Data: <pðiµA 0 jµA > 70 F0 69 B5 41 02 00 00 30 06 6A B5 41 02 00 00
{70} normal block at 0x00000241B569F1B0, 16 bytes long.
Data: < êÁdö > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000241B569F110, 16 bytes long.
Data: <@éÁdö > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000241B569F930, 16 bytes long.
Data: <øW¾dö > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000241B569F520, 16 bytes long.
Data: <ØW¾dö > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000241B569F0C0, 16 bytes long.
Data: <P ¾dö > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000241B569F8E0, 16 bytes long.
Data: <0 ¾dö > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000241B569F7F0, 16 bytes long.
Data: <à ¾dö > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000241B569F4D0, 16 bytes long.
Data: < ¾dö > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000241B569FD40, 16 bytes long.
Data: <p ¾dö > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000241B569F890, 16 bytes long.
Data: < À¼dö > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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