Task 38682950
| Name | test_637-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0567_0 |
| Workunit | 31624541 |
| Created | 27 Oct 2026, 9:48:31 UTC |
| Sent | 27 Oct 2026, 9:48:33 UTC |
| Report deadline | 1 Nov 2026, 9:48:33 UTC |
| Received | 27 Oct 2026, 10:24:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630577 |
| Run time | 35 min 8 sec |
| CPU time | 32 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,410.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.36 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:50:22 (17176): wrapper (7.9.26016): starting
10:50:22 (17176): 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
10:50:23 (17176): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:50:23 (17176): 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 'D:\BoincData\slots\2\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 'D:\BoincData\slots\2\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
11:23:53 (17176): C:/Windows/system32/cmd.exe exited; CPU time 1948.609375
11:23:53 (17176): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 28415005 bytes.
Dumping objects ->
{3835268} normal block at 0x0000020DB2651020, 48 bytes long.
Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835257} normal block at 0x0000020DB27A5E30, 32 bytes long.
Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835246} normal block at 0x0000020DB27A5D10, 32 bytes long.
Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835235} normal block at 0x0000020DB27A5950, 32 bytes long.
Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835224} normal block at 0x0000020DB27A5FB0, 32 bytes long.
Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44
{3835193} normal block at 0x0000020DB2650D80, 48 bytes long.
Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835182} normal block at 0x0000020DB276D1F0, 102 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) : {3835179} normal block at 0x0000020DB0B26810, 8 bytes long.
Data: < ¯° > 00 00 AF B0 0D 02 00 00
{3834558} normal block at 0x0000020DB276D610, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x0000020DB0B26AE0, 8 bytes long.
Data: <P/n² > 50 2F 6E B2 0D 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020DB0B31430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020DB0B15EC0, 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 0x0000020DB0B324C0, 16 bytes long.
Data: <(9³° > 28 39 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020DB0B32470, 16 bytes long.
Data: < 9³° > 00 39 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020DB0B2D6C0, 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 0x0000020DB0B32C90, 16 bytes long.
Data: <Ø8³° > D8 38 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020DB0B32420, 16 bytes long.
Data: <°8³° > B0 38 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020DB0B32F60, 16 bytes long.
Data: < 8³° > 88 38 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020DB0B32F10, 16 bytes long.
Data: <`8³° > 60 38 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020DB0B2B650, 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 0x0000020DB0B33190, 16 bytes long.
Data: <X^±° > 58 5E B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020DB0B2CE20, 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 0x0000020DB0B32380, 16 bytes long.
Data: <0^±° > 30 5E B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020DB0B32790, 16 bytes long.
Data: < ^±° > 08 5E B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020DB0B32B50, 16 bytes long.
Data: <à]±° > E0 5D B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020DB0B330F0, 16 bytes long.
Data: <¸]±° > B8 5D B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020DB0B32510, 16 bytes long.
Data: < ]±° > 90 5D B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020DB0B32880, 16 bytes long.
Data: <h]±° > 68 5D B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020DB0B2D840, 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 0x0000020DB0B330A0, 16 bytes long.
Data: <@]±° > 40 5D B1 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020DB0B15D40, 320 bytes long.
Data: < 0³° @ز° > A0 30 B3 B0 0D 02 00 00 40 D8 B2 B0 0D 02 00 00
{271} normal block at 0x0000020DB0B323D0, 16 bytes long.
Data: <@8³° > 40 38 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020DB0B32C40, 16 bytes long.
Data: < 8³° > 18 38 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020DB0B2DC00, 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 0x0000020DB0B32330, 16 bytes long.
Data: <ð7³° > F0 37 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020DB0B2CDC0, 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 0x0000020DB0B328D0, 16 bytes long.
Data: <87³° > 38 37 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020DB0B32D80, 16 bytes long.
Data: < 7³° > 10 37 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020DB0B32740, 16 bytes long.
Data: <è6³° > E8 36 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020DB0B32B00, 16 bytes long.
Data: <À6³° > C0 36 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020DB0B32AB0, 16 bytes long.
Data: < 6³° > 98 36 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020DB0B32D30, 16 bytes long.
Data: <p6³° > 70 36 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020DB0B33050, 16 bytes long.
Data: <й²° > D0 B9 B2 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020DB0B2B9D0, 40 bytes long.
Data: <P0³° e² > 50 30 B3 B0 0D 02 00 00 80 0D 65 B2 0D 02 00 00
{257} normal block at 0x0000020DB0B32650, 16 bytes long.
Data: <P6³° > 50 36 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020DB0B32970, 16 bytes long.
Data: <(6³° > 28 36 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000020DB0B2DC60, 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 0x0000020DB0B32600, 16 bytes long.
Data: < 6³° > 00 36 B3 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000020DB0B33600, 992 bytes long.
Data: < &³° `ܲ° > 00 26 B3 B0 0D 02 00 00 60 DC B2 B0 0D 02 00 00
{89} normal block at 0x0000020DB0B2D780, 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 0x0000020DB0B26EF0, 16 bytes long.
Data: <൲° > E0 B5 B2 B0 0D 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000020DB0B2B5E0, 40 bytes long.
Data: <ðn²° ײ° > F0 6E B2 B0 0D 02 00 00 80 D7 B2 B0 0D 02 00 00
{66} normal block at 0x0000020DB0B27080, 16 bytes long.
Data: < êxëö > 80 EA 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020DB0B26900, 16 bytes long.
Data: <@éxëö > 40 E9 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020DB0B26B30, 16 bytes long.
Data: <øWuëö > F8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020DB0B26C70, 16 bytes long.
Data: <ØWuëö > D8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020DB0B27440, 16 bytes long.
Data: <P uëö > 50 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020DB0B268B0, 16 bytes long.
Data: <0 uëö > 30 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020DB0B273F0, 16 bytes long.
Data: <à uëö > E0 02 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020DB0B271C0, 16 bytes long.
Data: < uëö > 10 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000020DB0B274E0, 16 bytes long.
Data: <p uëö > 70 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000020DB0B26860, 16 bytes long.
Data: < Àsëö > 18 C0 73 EB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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