Task 38685002
| Name | test_257-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3669_0 |
| Workunit | 31626494 |
| Created | 27 Oct 2026, 18:57:10 UTC |
| Sent | 27 Oct 2026, 18:57:21 UTC |
| Report deadline | 1 Nov 2026, 18:57:21 UTC |
| Received | 27 Oct 2026, 20:42:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617005 |
| Run time | 1 hours 0 min 36 sec |
| CPU time | 51 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,204.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.11 MB |
| Peak swap size | 2.24 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:38:58 (17344): wrapper (7.9.26016): starting
22:38:58 (17344): 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
22:39:02 (17344): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:39:02 (17344): 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:\BOINC\slots\3\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:\BOINC\slots\3\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
23:37:54 (17344): C:/Windows/system32/cmd.exe exited; CPU time 3084.078125
23:37:54 (17344): 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: 55146835 bytes.
Dumping objects ->
{3835529} normal block at 0x000001C8A3B70D20, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835518} normal block at 0x000001C8A56E4760, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835507} normal block at 0x000001C8A56E3C80, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835496} normal block at 0x000001C8A56E46A0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835485} normal block at 0x000001C8A56E5300, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835454} normal block at 0x000001C8A3B70CB0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835443} normal block at 0x000001C8A3B68AE0, 200 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) : {3835440} normal block at 0x000001C8A3B66C60, 8 bytes long.
Data: < ±£È > 00 00 B1 A3 C8 01 00 00
{3834685} normal block at 0x000001C8A3B69CF0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x000001C8A3B66850, 8 bytes long.
Data: <Àcn¥È > C0 63 6E A5 C8 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001C8A3B71770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C8A3B55F20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000001C8A3B72A30, 16 bytes long.
Data: < :·£È > 18 3A B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C8A3B73070, 16 bytes long.
Data: <ð9·£È > F0 39 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C8A3B6DC20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000001C8A3B729E0, 16 bytes long.
Data: <È9·£È > C8 39 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C8A3B72990, 16 bytes long.
Data: < 9·£È > A0 39 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C8A3B72B20, 16 bytes long.
Data: <x9·£È > 78 39 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C8A3B72940, 16 bytes long.
Data: <P9·£È > 50 39 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C8A3B70E00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000001C8A3B72E40, 16 bytes long.
Data: <¸^µ£È > B8 5E B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C8A3B6D560, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000001C8A3B730C0, 16 bytes long.
Data: <^µ£È > 90 5E B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C8A3B734D0, 16 bytes long.
Data: <h^µ£È > 68 5E B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C8A3B72AD0, 16 bytes long.
Data: <@^µ£È > 40 5E B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C8A3B728F0, 16 bytes long.
Data: < ^µ£È > 18 5E B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C8A3B73430, 16 bytes long.
Data: <ð]µ£È > F0 5D B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C8A3B72800, 16 bytes long.
Data: <È]µ£È > C8 5D B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C8A3B6D7A0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{269} normal block at 0x000001C8A3B72850, 16 bytes long.
Data: < ]µ£È > A0 5D B5 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C8A3B55DA0, 320 bytes long.
Data: <P(·£È  ×¶£È > 50 28 B7 A3 C8 01 00 00 A0 D7 B6 A3 C8 01 00 00
{267} normal block at 0x000001C8A3B73200, 16 bytes long.
Data: <09·£È > 30 39 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C8A3B73390, 16 bytes long.
Data: < 9·£È > 08 39 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C8A3B6D440, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000001C8A3B73020, 16 bytes long.
Data: <à8·£È > E0 38 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C8A3B6D3E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000001C8A3B733E0, 16 bytes long.
Data: <(8·£È > 28 38 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C8A3B72DF0, 16 bytes long.
Data: < 8·£È > 00 38 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C8A3B727B0, 16 bytes long.
Data: <Ø7·£È > D8 37 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C8A3B728A0, 16 bytes long.
Data: <°7·£È > B0 37 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C8A3B72F80, 16 bytes long.
Data: < 7·£È > 88 37 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C8A3B73480, 16 bytes long.
Data: <`7·£È > 60 37 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C8A3B72670, 16 bytes long.
Data: <0 ·£È > 30 10 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001C8A3B71030, 40 bytes long.
Data: <p&·£È ° ·£È > 70 26 B7 A3 C8 01 00 00 B0 0C B7 A3 C8 01 00 00
{253} normal block at 0x000001C8A3B732F0, 16 bytes long.
Data: <@7·£È > 40 37 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001C8A3B72760, 16 bytes long.
Data: < 7·£È > 18 37 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001C8A3B6D320, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000001C8A3B725D0, 16 bytes long.
Data: <ð6·£È > F0 36 B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001C8A3B736F0, 992 bytes long.
Data: <Ð%·£È Ó¶£È > D0 25 B7 A3 C8 01 00 00 20 D3 B6 A3 C8 01 00 00
{85} normal block at 0x000001C8A3B6D680, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000001C8A3B66620, 16 bytes long.
Data: <ð ·£È > F0 0A B7 A3 C8 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001C8A3B70AF0, 40 bytes long.
Data: < f¶£È €Ö¶£È > 20 66 B6 A3 C8 01 00 00 80 D6 B6 A3 C8 01 00 00
{62} normal block at 0x000001C8A3B66F30, 16 bytes long.
Data: <€êñâö > 80 EA F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C8A3B66E90, 16 bytes long.
Data: <@éñâö > 40 E9 F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C8A3B672A0, 16 bytes long.
Data: <øWîâö > F8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C8A3B671B0, 16 bytes long.
Data: <ØWîâö > D8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C8A3B67340, 16 bytes long.
Data: <P îâö > 50 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C8A3B66E40, 16 bytes long.
Data: <0 îâö > 30 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C8A3B66EE0, 16 bytes long.
Data: <à îâö > E0 02 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001C8A3B67200, 16 bytes long.
Data: < îâö > 10 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001C8A3B66760, 16 bytes long.
Data: <p îâö > 70 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001C8A3B67390, 16 bytes long.
Data: < Àìâö > 18 C0 EC E2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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