Task 38662825
| Name | test_144-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND4123_0 |
| Workunit | 31606060 |
| Created | 24 Oct 2026, 20:54:12 UTC |
| Sent | 24 Oct 2026, 20:54:22 UTC |
| Report deadline | 29 Oct 2026, 20:54:22 UTC |
| Received | 24 Oct 2026, 21:19:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648286 |
| Run time | 24 min 21 sec |
| CPU time | 23 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.75 MB |
| Peak swap size | 7.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:56:03 (11940): wrapper (7.9.26016): starting
22:56:03 (11940): 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
22:56:05 (11940): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:56:05 (11940): 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
23:19:17 (11940): C:/Windows/system32/cmd.exe exited; CPU time 1400.515625
23:19:17 (11940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 16261229 bytes.
Dumping objects ->
{3835261} normal block at 0x000002244BB098F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x000002244BB08CB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000002244BB09730, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835228} normal block at 0x000002244BB092D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x000002244BB08E00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835186} normal block at 0x000002244D754E10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000002244D7B5890, 160 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) : {3835172} normal block at 0x000002244BADF740, 8 bytes long.
Data: < L$ > 00 00 0C 4C 24 02 00 00
{3834575} normal block at 0x000002244D7B5510, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833981} normal block at 0x000002244BADF1F0, 8 bytes long.
Data: <`>{M$ > 60 3E 7B 4D 24 02 00 00
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x000002244BAE2090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002244BAD6430, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{306} normal block at 0x000002244BAE5BF0, 16 bytes long.
Data: <Hh®K$ > 48 68 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000002244BAE6320, 16 bytes long.
Data: < h®K$ > 20 68 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002244BADE0C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{303} normal block at 0x000002244BAE5830, 16 bytes long.
Data: <øg®K$ > F8 67 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002244BAE6280, 16 bytes long.
Data: <Ðg®K$ > D0 67 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002244BAE5B00, 16 bytes long.
Data: <¨g®K$ > A8 67 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002244BAE5D80, 16 bytes long.
Data: < g®K$ > 80 67 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002244BADFF40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{298} normal block at 0x000002244BAE61E0, 16 bytes long.
Data: <xõ¬K$ > 78 F5 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002244BADDBE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{296} normal block at 0x000002244BAE6230, 16 bytes long.
Data: <Põ¬K$ > 50 F5 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002244BAE62D0, 16 bytes long.
Data: <(õ¬K$ > 28 F5 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002244BAE6190, 16 bytes long.
Data: < õ¬K$ > 00 F5 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002244BAE5BA0, 16 bytes long.
Data: <Øô¬K$ > D8 F4 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002244BAE60A0, 16 bytes long.
Data: <°ô¬K$ > B0 F4 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002244BAE6000, 16 bytes long.
Data: < ô¬K$ > 88 F4 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002244BADDA00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{288} normal block at 0x000002244BAE5FB0, 16 bytes long.
Data: <`ô¬K$ > 60 F4 AC 4B 24 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002244BACF460, 320 bytes long.
Data: <°_®K$ Ú­K$ > B0 5F AE 4B 24 02 00 00 00 DA AD 4B 24 02 00 00
{286} normal block at 0x000002244BAE5F60, 16 bytes long.
Data: <`g®K$ > 60 67 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002244BAE5F10, 16 bytes long.
Data: <8g®K$ > 38 67 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002244BADE000, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{283} normal block at 0x000002244BAE5920, 16 bytes long.
Data: < g®K$ > 10 67 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002244BADD580, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{281} normal block at 0x000002244BAE5EC0, 16 bytes long.
Data: <Xf®K$ > 58 66 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002244BAE5DD0, 16 bytes long.
Data: <0f®K$ > 30 66 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002244BAE5E70, 16 bytes long.
Data: < f®K$ > 08 66 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002244BAE59C0, 16 bytes long.
Data: <àe®K$ > E0 65 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002244BAE6460, 16 bytes long.
Data: <¸e®K$ > B8 65 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002244BAE5B50, 16 bytes long.
Data: < e®K$ > 90 65 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002244BAE6050, 16 bytes long.
Data: < ý­K$ > 10 FD AD 4B 24 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002244BADFD10, 40 bytes long.
Data: <P`®K$ NuM$ > 50 60 AE 4B 24 02 00 00 10 4E 75 4D 24 02 00 00
{272} normal block at 0x000002244BAE5AB0, 16 bytes long.
Data: <pe®K$ > 70 65 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002244BAE5E20, 16 bytes long.
Data: <He®K$ > 48 65 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002244BADDF40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{269} normal block at 0x000002244BAE56F0, 16 bytes long.
Data: < e®K$ > 20 65 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002244BAE6520, 992 bytes long.
Data: <ðV®K$ @ß­K$ > F0 56 AE 4B 24 02 00 00 40 DF AD 4B 24 02 00 00
{104} normal block at 0x000002244BADD9A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{103} normal block at 0x000002244BADF060, 16 bytes long.
Data: <À ®K$ > C0 02 AE 4B 24 02 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x000002244BAE02C0, 40 bytes long.
Data: <`ð­K$  Ù­K$ > 60 F0 AD 4B 24 02 00 00 A0 D9 AD 4B 24 02 00 00
{81} normal block at 0x000002244BADF150, 16 bytes long.
Data: < ê ÷ > 80 EA 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002244BADF420, 16 bytes long.
Data: <@é ÷ > 40 E9 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002244BADED90, 16 bytes long.
Data: <øW ÷ > F8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002244BADF7E0, 16 bytes long.
Data: <ØW ÷ > D8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002244BADF2E0, 16 bytes long.
Data: <P ÷ > 50 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002244BADF880, 16 bytes long.
Data: <0 ÷ > 30 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002244BADECA0, 16 bytes long.
Data: <à ÷ > E0 02 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002244BADF920, 16 bytes long.
Data: < ÷ > 10 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002244BADF790, 16 bytes long.
Data: <p ÷ > 70 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002244BADF1A0, 16 bytes long.
Data: < À ÷ > 18 C0 07 16 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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