Task 38683986
| Name | test_923-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND5800_0 |
| Workunit | 31625518 |
| Created | 27 Oct 2026, 14:13:47 UTC |
| Sent | 27 Oct 2026, 14:13:53 UTC |
| Report deadline | 1 Nov 2026, 14:13:53 UTC |
| Received | 27 Oct 2026, 20:31:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639137 |
| Run time | 31 min 4 sec |
| CPU time | 28 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.29 MB |
| Peak swap size | 8.31 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:01:36 (49080): wrapper (7.9.26016): starting
00:01:37 (49080): 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
00:01:39 (49080): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:01:39 (49080): 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\10\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\10\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
00:31:06 (49080): C:/Windows/system32/cmd.exe exited; CPU time 1697.812500
00:31:06 (49080): 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: 47911251 bytes.
Dumping objects ->
{3835387} normal block at 0x000001B0A8B4D6F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835376} normal block at 0x000001B0A8B4D5A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x000001B0A6E454C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835354} normal block at 0x000001B0A6E45370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835343} normal block at 0x000001B0A6E45220, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835312} normal block at 0x000001B0A8B99EB0, 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) : {3835299} normal block at 0x000001B0A6E3DAA0, 8 bytes long.
Data: < ݦ° > 00 00 DD A6 B0 01 00 00
{3833968} normal block at 0x000001B0A6E3E130, 8 bytes long.
Data: <`×⦰ > 60 D7 E2 A6 B0 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B0A6E40F90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B0A6E36520, 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 0x000001B0A6E45E50, 16 bytes long.
Data: <(m䦰 > 28 6D E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B0A6E46800, 16 bytes long.
Data: < m䦰 > 00 6D E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B0A6E3FC00, 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 0x000001B0A6E465D0, 16 bytes long.
Data: <Øl䦰 > D8 6C E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B0A6E45B80, 16 bytes long.
Data: <°l䦰 > B0 6C E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B0A6E45B30, 16 bytes long.
Data: < l䦰 > 88 6C E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B0A6E46530, 16 bytes long.
Data: <`l䦰 > 60 6C E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B0A6E44E30, 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 0x000001B0A6E45AE0, 16 bytes long.
Data: <¸ò⦰ > B8 F2 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B0A6E40500, 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 0x000001B0A6E46620, 16 bytes long.
Data: < ò⦰ > 90 F2 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B0A6E46120, 16 bytes long.
Data: <hò⦰ > 68 F2 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B0A6E462B0, 16 bytes long.
Data: <@ò⦰ > 40 F2 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B0A6E45FE0, 16 bytes long.
Data: < ò⦰ > 18 F2 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B0A6E46940, 16 bytes long.
Data: <ðñ⦰ > F0 F1 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B0A6E468F0, 16 bytes long.
Data: <Èñ⦰ > C8 F1 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B0A6E3FE40, 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 0x000001B0A6E464E0, 16 bytes long.
Data: < ñ⦰ > A0 F1 E2 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B0A6E2F1A0, 320 bytes long.
Data: <àd䦰 @þ㦰 > E0 64 E4 A6 B0 01 00 00 40 FE E3 A6 B0 01 00 00
{277} normal block at 0x000001B0A6E45E00, 16 bytes long.
Data: <@l䦰 > 40 6C E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B0A6E467B0, 16 bytes long.
Data: < l䦰 > 18 6C E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B0A6E40140, 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 0x000001B0A6E463F0, 16 bytes long.
Data: <ðk䦰 > F0 6B E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B0A6E407A0, 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 0x000001B0A6E46260, 16 bytes long.
Data: <8k䦰 > 38 6B E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B0A6E46440, 16 bytes long.
Data: < k䦰 > 10 6B E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B0A6E46490, 16 bytes long.
Data: <èj䦰 > E8 6A E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B0A6E46210, 16 bytes long.
Data: <Àj䦰 > C0 6A E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B0A6E463A0, 16 bytes long.
Data: < j䦰 > 98 6A E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B0A6E466C0, 16 bytes long.
Data: <pj䦰 > 70 6A E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B0A6E45A40, 16 bytes long.
Data: <@Q䦰 > 40 51 E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B0A6E45140, 40 bytes long.
Data: <@Z䦰 °ž¹¨° > 40 5A E4 A6 B0 01 00 00 B0 9E B9 A8 B0 01 00 00
{263} normal block at 0x000001B0A6E46990, 16 bytes long.
Data: <Pj䦰 > 50 6A E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B0A6E45EF0, 16 bytes long.
Data: <(j䦰 > 28 6A E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B0A6E40680, 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 0x000001B0A6E45DB0, 16 bytes long.
Data: < j䦰 > 00 6A E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B0A6E46A00, 992 bytes long.
Data: <°]䦰 䦰 > B0 5D E4 A6 B0 01 00 00 80 06 E4 A6 B0 01 00 00
{95} normal block at 0x000001B0A6E402C0, 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 0x000001B0A6E3D9B0, 16 bytes long.
Data: <àS䦰 > E0 53 E4 A6 B0 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001B0A6E453E0, 40 bytes long.
Data: <°Ù㦰 À 䦰 > B0 D9 E3 A6 B0 01 00 00 C0 02 E4 A6 B0 01 00 00
{72} normal block at 0x000001B0A6E3DFF0, 16 bytes long.
Data: < ê kö > 80 EA A0 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B0A6E3DBE0, 16 bytes long.
Data: <@é kö > 40 E9 A0 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B0A6E3DEB0, 16 bytes long.
Data: <øW kö > F8 57 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B0A6E3DB40, 16 bytes long.
Data: <ØW kö > D8 57 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B0A6E3D870, 16 bytes long.
Data: <P kö > 50 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B0A6E3DAF0, 16 bytes long.
Data: <0 kö > 30 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B0A6E3D910, 16 bytes long.
Data: <à kö > E0 02 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B0A6E3D780, 16 bytes long.
Data: < kö > 10 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B0A6E3DB90, 16 bytes long.
Data: <p kö > 70 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B0A6E3DA50, 16 bytes long.
Data: < À›kö > 18 C0 9B 6B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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