Task 38684505
| Name | test_356-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7656_0 |
| Workunit | 31626017 |
| Created | 27 Oct 2026, 16:42:11 UTC |
| Sent | 27 Oct 2026, 16:42:20 UTC |
| Report deadline | 1 Nov 2026, 16:42:20 UTC |
| Received | 27 Oct 2026, 17:30:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631520 |
| Run time | 35 min 29 sec |
| CPU time | 33 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,608.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 702.45 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:47:51 (26092): wrapper (7.9.26016): starting
01:47:51 (26092): 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
01:47:52 (26092): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:47:52 (26092): 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\0\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\0\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
02:21:58 (26092): C:/Windows/system32/cmd.exe exited; CPU time 1989.468750
02:21:58 (26092): 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: 36637645 bytes.
Dumping objects ->
{3835268} normal block at 0x000001C8BEA9BE90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835257} normal block at 0x000001C8BEA44AC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x000001C8BEA44A50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835235} normal block at 0x000001C8BEA44970, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x000001C8BEA44900, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835193} normal block at 0x000001C8C0A07A00, 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) : {3835180} normal block at 0x000001C8BEA40A00, 8 bytes long.
Data: < ¾È > 00 00 9C BE C8 01 00 00
{3834037} normal block at 0x000001C8BEA41090, 8 bytes long.
Data: < :©ÀÈ > F0 3A A9 C0 C8 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C8BEA364B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C8BEA37370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001C8BEA45610, 16 bytes long.
Data: < d¤¾È > E8 64 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C8BEA45430, 16 bytes long.
Data: <Àd¤¾È > C0 64 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C8BEA3F580, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001C8BEA45CA0, 16 bytes long.
Data: < d¤¾È > 98 64 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C8BEA45750, 16 bytes long.
Data: <pd¤¾È > 70 64 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C8BEA45AC0, 16 bytes long.
Data: <Hd¤¾È > 48 64 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C8BEA45F20, 16 bytes long.
Data: < d¤¾È > 20 64 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C8BEA44C10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001C8BEA45250, 16 bytes long.
Data: < ¢¾È > 18 F0 A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C8BEA3FA00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001C8BEA45ED0, 16 bytes long.
Data: < ¢¾È > F0 EF A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C8BEA45C00, 16 bytes long.
Data: <È ¢¾È > C8 EF A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C8BEA452A0, 16 bytes long.
Data: < ¢¾È > A0 EF A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C8BEA45340, 16 bytes long.
Data: <x ¢¾È > 78 EF A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C8BEA458E0, 16 bytes long.
Data: <P ¢¾È > 50 EF A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C8BEA453E0, 16 bytes long.
Data: <( ¢¾È > 28 EF A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C8BEA3FC40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001C8BEA45E30, 16 bytes long.
Data: < ¢¾È > 00 EF A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C8BEA2EF00, 320 bytes long.
Data: <0^¤¾È @ £¾È > 30 5E A4 BE C8 01 00 00 40 FC A3 BE C8 01 00 00
{271} normal block at 0x000001C8BEA45D90, 16 bytes long.
Data: < d¤¾È > 00 64 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C8BEA45FC0, 16 bytes long.
Data: <Øc¤¾È > D8 63 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C8BEA3FD60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001C8BEA455C0, 16 bytes long.
Data: <°c¤¾È > B0 63 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C8BEA3FE20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001C8BEA460B0, 16 bytes long.
Data: < b¤¾È > F8 62 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C8BEA45C50, 16 bytes long.
Data: <Ðb¤¾È > D0 62 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C8BEA45700, 16 bytes long.
Data: <¨b¤¾È > A8 62 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C8BEA457F0, 16 bytes long.
Data: < b¤¾È > 80 62 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C8BEA45F70, 16 bytes long.
Data: <Xb¤¾È > 58 62 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C8BEA45570, 16 bytes long.
Data: <0b¤¾È > 30 62 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C8BEA456B0, 16 bytes long.
Data: <0K¤¾È > 30 4B A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C8BEA44B30, 40 bytes long.
Data: <°V¤¾È z ÀÈ > B0 56 A4 BE C8 01 00 00 00 7A A0 C0 C8 01 00 00
{257} normal block at 0x000001C8BEA45E80, 16 bytes long.
Data: < b¤¾È > 10 62 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C8BEA45520, 16 bytes long.
Data: < a¤¾È > E8 61 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C8BEA3FA60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001C8BEA45980, 16 bytes long.
Data: <Àa¤¾È > C0 61 A4 BE C8 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001C8BEA461C0, 992 bytes long.
Data: < Y¤¾È ` £¾È > 80 59 A4 BE C8 01 00 00 60 FA A3 BE C8 01 00 00
{89} normal block at 0x000001C8BEA3F520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001C8BEA40E60, 16 bytes long.
Data: < ¢¾È > A0 C2 A2 BE C8 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001C8BEA2C2A0, 40 bytes long.
Data: <` ¤¾È £¾È > 60 0E A4 BE C8 01 00 00 20 F5 A3 BE C8 01 00 00
{64} normal block at 0x000001C8BEA40370, 16 bytes long.
Data: < Q > 80 EA 18 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C8BEA41180, 16 bytes long.
Data: <@ Q > 40 E9 18 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C8BEA40CD0, 16 bytes long.
Data: < W Q > F8 57 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C8BEA41130, 16 bytes long.
Data: <ØW Q > D8 57 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C8BEA409B0, 16 bytes long.
Data: <P Q > 50 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C8BEA402D0, 16 bytes long.
Data: <0 Q > 30 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C8BEA40F50, 16 bytes long.
Data: < Q > E0 02 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C8BEA40230, 16 bytes long.
Data: < Q > 10 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C8BEA40AF0, 16 bytes long.
Data: <p Q > 70 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001C8BEA40500, 16 bytes long.
Data: < À Q > 18 C0 13 51 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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