Task 38670249
| Name | test_987-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3826_0 |
| Workunit | 31612506 |
| Created | 25 Oct 2026, 16:54:24 UTC |
| Sent | 25 Oct 2026, 16:54:26 UTC |
| Report deadline | 30 Oct 2026, 16:54:26 UTC |
| Received | 25 Oct 2026, 17:53:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652945 |
| Run time | 21 min 55 sec |
| CPU time | 20 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.41 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:32:04 (1604): wrapper (7.9.26016): starting
18:32:04 (1604): 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
18:32:05 (1604): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:32:05 (1604): 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
18:53:09 (1604): C:/Windows/system32/cmd.exe exited; CPU time 1217.000000
18:53:09 (1604): 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: 26251929 bytes.
Dumping objects ->
{3835496} normal block at 0x000001CFF492C1A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835485} normal block at 0x000001CFF492B410, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x000001CFF492B720, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835463} normal block at 0x000001CFF492C280, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835452} normal block at 0x000001CFF492BA30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835421} normal block at 0x000001CFF678E9B0, 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) : {3835408} normal block at 0x000001CFF4907710, 8 bytes long.
Data: < }ôÏ > 00 00 7D F4 CF 01 00 00
{3833971} normal block at 0x000001CFF49076C0, 8 bytes long.
Data: < é’ôÏ > 20 E9 92 F4 CF 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001CFF48FCE30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001CFF48F67D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001CFF4901910, 16 bytes long.
Data: <¨¸”ôÏ > A8 B8 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001CFF4901640, 16 bytes long.
Data: < ¸”ôÏ > 80 B8 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001CFF494AC80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001CFF4901550, 16 bytes long.
Data: <X¸”ôÏ > 58 B8 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CFF4901500, 16 bytes long.
Data: <0¸”ôÏ > 30 B8 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CFF49014B0, 16 bytes long.
Data: < ¸”ôÏ > 08 B8 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CFF4901A50, 16 bytes long.
Data: <à·”ôÏ > E0 B7 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CFF4902D40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001CFF4901280, 16 bytes long.
Data: <xk ôÏ > 78 6B 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CFF494A740, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001CFF49010F0, 16 bytes long.
Data: <Pk ôÏ > 50 6B 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CFF49012D0, 16 bytes long.
Data: <(k ôÏ > 28 6B 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CFF4901FF0, 16 bytes long.
Data: < k ôÏ > 00 6B 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CFF4901230, 16 bytes long.
Data: <Øj ôÏ > D8 6A 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CFF4907530, 16 bytes long.
Data: <°j ôÏ > B0 6A 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CFF4907BC0, 16 bytes long.
Data: < j ôÏ > 88 6A 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CFF494ABC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001CFF4907B70, 16 bytes long.
Data: <`j ôÏ > 60 6A 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CFF4906A60, 320 bytes long.
Data: <p{ ôÏ À«”ôÏ > 70 7B 90 F4 CF 01 00 00 C0 AB 94 F4 CF 01 00 00
{281} normal block at 0x000001CFF4907B20, 16 bytes long.
Data: <À·”ôÏ > C0 B7 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CFF49078F0, 16 bytes long.
Data: < ·”ôÏ > 98 B7 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CFF494B2E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001CFF4907AD0, 16 bytes long.
Data: <p·”ôÏ > 70 B7 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CFF494ACE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001CFF4907940, 16 bytes long.
Data: <¸¶”ôÏ > B8 B6 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CFF4907800, 16 bytes long.
Data: < ¶”ôÏ > 90 B6 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CFF4907A80, 16 bytes long.
Data: <h¶”ôÏ > 68 B6 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CFF4907A30, 16 bytes long.
Data: <@¶”ôÏ > 40 B6 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CFF49079E0, 16 bytes long.
Data: < ¶”ôÏ > 18 B6 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CFF49077B0, 16 bytes long.
Data: <ðµ”ôÏ > F0 B5 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CFF4907580, 16 bytes long.
Data: <01 ôÏ > 30 31 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CFF4903130, 40 bytes long.
Data: < u ôÏ °éxöÏ > 80 75 90 F4 CF 01 00 00 B0 E9 78 F6 CF 01 00 00
{267} normal block at 0x000001CFF4907990, 16 bytes long.
Data: <е”ôÏ > D0 B5 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CFF4907760, 16 bytes long.
Data: <¨µ”ôÏ > A8 B5 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CFF494A5C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001CFF4907670, 16 bytes long.
Data: < µ”ôÏ > 80 B5 94 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CFF494B580, 992 bytes long.
Data: <pv ôÏ À¥”ôÏ > 70 76 90 F4 CF 01 00 00 C0 A5 94 F4 CF 01 00 00
{99} normal block at 0x000001CFF48FFC40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001CFF4901D70, 16 bytes long.
Data: <à/ ôÏ > E0 2F 90 F4 CF 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001CFF4902FE0, 40 bytes long.
Data: <p ôÏ @ü ôÏ > 70 1D 90 F4 CF 01 00 00 40 FC 8F F4 CF 01 00 00
{76} normal block at 0x000001CFF4901730, 16 bytes long.
Data: < êõ³÷ > 80 EA F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001CFF49016E0, 16 bytes long.
Data: <@éõ³÷ > 40 E9 F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001CFF4901A00, 16 bytes long.
Data: <øWò³÷ > F8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001CFF4901CD0, 16 bytes long.
Data: <ØWò³÷ > D8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CFF49015F0, 16 bytes long.
Data: <P ò³÷ > 50 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CFF4901320, 16 bytes long.
Data: <0 ò³÷ > 30 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CFF4901DC0, 16 bytes long.
Data: <à ò³÷ > E0 02 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CFF4901190, 16 bytes long.
Data: < ò³÷ > 10 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CFF4901F00, 16 bytes long.
Data: <p ò³÷ > 70 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CFF4901B90, 16 bytes long.
Data: < Àð³÷ > 18 C0 F0 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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