Task 38682117
| Name | test_104-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7488_1 |
| Workunit | 31623652 |
| Created | 27 Oct 2026, 6:38:35 UTC |
| Sent | 27 Oct 2026, 6:38:40 UTC |
| Report deadline | 1 Nov 2026, 6:38:40 UTC |
| Received | 27 Oct 2026, 8:11:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 58 min 2 sec |
| CPU time | 38 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.22 MB |
| Peak swap size | 11.39 GB |
| Peak disk usage | 3.97 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
15:17:27 (16000): wrapper (7.9.26016): starting
15:17:27 (16000): 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
15:17:29 (16000): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:17:29 (16000): 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\28\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\28\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
16:09:34 (16000): C:/Windows/system32/cmd.exe exited; CPU time 2301.781250
16:09:34 (16000): 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: 75926145 bytes.
Dumping objects ->
{3842645} normal block at 0x000001BD22478FC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3842634} normal block at 0x000001BD224799D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3842623} normal block at 0x000001BD22478F50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3842612} normal block at 0x000001BD22479960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3842601} normal block at 0x000001BD22479030, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3842570} normal block at 0x000001BD1EA11370, 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) : {3842556} normal block at 0x000001BD1E9E95C0, 8 bytes long.
Data: < > 00 00 F0 1E BD 01 00 00
{3841350} normal block at 0x000001BD1E9E9390, 8 bytes long.
Data: < @" > 10 1C 40 22 BD 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001BD1E9BC840, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001BD1E9B6ED0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001BD1E9E9930, 16 bytes long.
Data: < > 08 C8 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BD1E9E9840, 16 bytes long.
Data: < > E0 C7 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BD1E9CF930, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001BD1E9E9660, 16 bytes long.
Data: < > B8 C7 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BD1E9E9610, 16 bytes long.
Data: < > 90 C7 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BD1E9E9570, 16 bytes long.
Data: <h > 68 C7 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BD1E9E9340, 16 bytes long.
Data: <@ > 40 C7 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BD1E9CDA20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001BD1E9E98E0, 16 bytes long.
Data: < > C8 ED 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BD1E9CF7B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001BD1E9E92A0, 16 bytes long.
Data: < > A0 ED 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BD1E9E9480, 16 bytes long.
Data: <x > 78 ED 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BD1E9E94D0, 16 bytes long.
Data: <P > 50 ED 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BD1E9E91B0, 16 bytes long.
Data: <( > 28 ED 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BD1E9E9F20, 16 bytes long.
Data: < > 00 ED 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BD1E9E9D90, 16 bytes long.
Data: < > D8 EC 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BD1E9CFE10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001BD1E9E9160, 16 bytes long.
Data: < > B0 EC 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BD1E9CECB0, 320 bytes long.
Data: <` > 60 91 9E 1E BD 01 00 00 10 FE 9C 1E BD 01 00 00
{277} normal block at 0x000001BD1E9E97A0, 16 bytes long.
Data: < > 20 C7 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BD1E9E9B60, 16 bytes long.
Data: < > F8 C6 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BD1E9CF8D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001BD1E9E9020, 16 bytes long.
Data: < > D0 C6 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BD1E9CF570, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001BD1E9E9200, 16 bytes long.
Data: < > 18 C6 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BD1E9E9D40, 16 bytes long.
Data: < > F0 C5 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BD1E9E9CF0, 16 bytes long.
Data: < > C8 C5 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BD1E9E9110, 16 bytes long.
Data: < > A0 C5 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BD1E9E92F0, 16 bytes long.
Data: <x > 78 C5 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BD1E9E90C0, 16 bytes long.
Data: <P > 50 C5 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BD1E9E9CA0, 16 bytes long.
Data: <P > 50 DC 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BD1E9CDC50, 40 bytes long.
Data: < p > A0 9C 9E 1E BD 01 00 00 70 13 A1 1E BD 01 00 00
{263} normal block at 0x000001BD1E9E9C00, 16 bytes long.
Data: <0 > 30 C5 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BD1E9E9BB0, 16 bytes long.
Data: < > 08 C5 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BD1E9CF5D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001BD1E9E9520, 16 bytes long.
Data: < > E0 C4 9E 1E BD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BD1E9EC4E0, 992 bytes long.
Data: < > 20 95 9E 1E BD 01 00 00 D0 F5 9C 1E BD 01 00 00
{95} normal block at 0x000001BD1E9CF750, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001BD1E9E9890, 16 bytes long.
Data: <@ > 40 E0 9C 1E BD 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001BD1E9CE040, 40 bytes long.
Data: < P > 90 98 9E 1E BD 01 00 00 50 F7 9C 1E BD 01 00 00
{70} normal block at 0x000001BD1E9C0A70, 16 bytes long.
Data: < FY > 80 EA 46 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BD1E9C0A20, 16 bytes long.
Data: <@ FY > 40 E9 46 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BD1E9C0980, 16 bytes long.
Data: < WCY > F8 57 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BD1E9C0930, 16 bytes long.
Data: < WCY > D8 57 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BD1E9BFCB0, 16 bytes long.
Data: <P CY > 50 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BD1E9C03E0, 16 bytes long.
Data: <0 CY > 30 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BD1E9C0B10, 16 bytes long.
Data: < CY > E0 02 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BD1E9C0390, 16 bytes long.
Data: < CY > 10 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BD1E9C09D0, 16 bytes long.
Data: <p CY > 70 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BD1E9C0890, 16 bytes long.
Data: < AY > 18 C0 41 59 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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