Task 38661643
| Name | test_58-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND9630_0 |
| Workunit | 31605042 |
| Created | 24 Oct 2026, 16:04:34 UTC |
| Sent | 24 Oct 2026, 16:12:42 UTC |
| Report deadline | 29 Oct 2026, 16:12:42 UTC |
| Received | 24 Oct 2026, 19:32:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494803 |
| Run time | 35 min 14 sec |
| CPU time | 29 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,067.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 670.10 MB |
| Peak swap size | 3.80 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:20:44 (1916): wrapper (7.9.26016): starting
19:20:44 (1916): 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
19:20:46 (1916): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:20:46 (1916): 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 'E:\BOINC\slots\1\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 'E:\BOINC\slots\1\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
19:54:51 (1916): C:/Windows/system32/cmd.exe exited; CPU time 1758.406250
19:54:51 (1916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 33803461 bytes.
Dumping objects ->
{3835522} normal block at 0x000001A9BDAF8D90, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835511} normal block at 0x000001A9BF717E70, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835500} normal block at 0x000001A9BF717210, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835489} normal block at 0x000001A9BF717390, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835478} normal block at 0x000001A9BF7175D0, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835447} normal block at 0x000001A9BDAF8700, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000001A9BDAC9FD0, 8 bytes long.
Data: < F¿© > 00 00 46 BF A9 01 00 00
{3833955} normal block at 0x000001A9BDAC98F0, 8 bytes long.
Data: <0 g¿© > 30 1B 67 BF A9 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001A9BDAD4150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A9BDABD6E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001A9BDAD5460, 16 bytes long.
Data: <Èd­½© > C8 64 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A9BDAD54B0, 16 bytes long.
Data: < d­½© > A0 64 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A9BDACEDB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001A9BDAD5370, 16 bytes long.
Data: <xd­½© > 78 64 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A9BDAD5910, 16 bytes long.
Data: <Pd­½© > 50 64 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A9BDAD58C0, 16 bytes long.
Data: <(d­½© > 28 64 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A9BDAD5320, 16 bytes long.
Data: < d­½© > 00 64 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A9BDACFA10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001A9BDAD52D0, 16 bytes long.
Data: <Ø^«½© > D8 5E AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A9BDACE270, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001A9BDAD5870, 16 bytes long.
Data: <°^«½© > B0 5E AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A9BDAD5280, 16 bytes long.
Data: < ^«½© > 88 5E AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A9BDAD5780, 16 bytes long.
Data: <`^«½© > 60 5E AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A9BDAD5E10, 16 bytes long.
Data: <8^«½© > 38 5E AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A9BDAD5D20, 16 bytes long.
Data: < ^«½© > 10 5E AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A9BDAD59B0, 16 bytes long.
Data: <è]«½© > E8 5D AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A9BDACE210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001A9BDAD5730, 16 bytes long.
Data: <À]«½© > C0 5D AB BD A9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A9BDAB5DC0, 320 bytes long.
Data: <0W­½© ⬽© > 30 57 AD BD A9 01 00 00 10 E2 AC BD A9 01 00 00
{273} normal block at 0x000001A9BDAD53C0, 16 bytes long.
Data: <àc­½© > E0 63 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A9BDAD56E0, 16 bytes long.
Data: <¸c­½© > B8 63 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A9BDACEB10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001A9BDAD5230, 16 bytes long.
Data: < c­½© > 90 63 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A9BDACE510, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001A9BDAD5CD0, 16 bytes long.
Data: <Øb­½© > D8 62 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A9BDAD57D0, 16 bytes long.
Data: <°b­½© > B0 62 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A9BDAD5550, 16 bytes long.
Data: < b­½© > 88 62 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A9BDAD6130, 16 bytes long.
Data: <`b­½© > 60 62 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A9BDAD60E0, 16 bytes long.
Data: <8b­½© > 38 62 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A9BDAD6040, 16 bytes long.
Data: < b­½© > 10 62 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A9BDAD5500, 16 bytes long.
Data: <àþ¬½© > E0 FE AC BD A9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A9BDACFEE0, 40 bytes long.
Data: < U­½© ‡¯½© > 00 55 AD BD A9 01 00 00 00 87 AF BD A9 01 00 00
{259} normal block at 0x000001A9BDAD5690, 16 bytes long.
Data: <ða­½© > F0 61 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A9BDAD55F0, 16 bytes long.
Data: <Èa­½© > C8 61 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001A9BDACE2D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001A9BDAD5FF0, 16 bytes long.
Data: < a­½© > A0 61 AD BD A9 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001A9BDAD61A0, 992 bytes long.
Data: <ð_­½© Ð⬽© > F0 5F AD BD A9 01 00 00 D0 E2 AC BD A9 01 00 00
{91} normal block at 0x000001A9BDACE990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001A9BDAC9F80, 16 bytes long.
Data: <pþ¬½© > 70 FE AC BD A9 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001A9BDACFE70, 40 bytes long.
Data: < Ÿ¬½© 鬽© > 80 9F AC BD A9 01 00 00 90 E9 AC BD A9 01 00 00
{68} normal block at 0x000001A9BDAC9300, 16 bytes long.
Data: < ê áö > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A9BDAC9D50, 16 bytes long.
Data: <@é áö > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A9BDAC9F30, 16 bytes long.
Data: <øW áö > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A9BDAC9D00, 16 bytes long.
Data: <ØW áö > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A9BDAC93A0, 16 bytes long.
Data: <P áö > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A9BDAC93F0, 16 bytes long.
Data: <0 áö > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A9BDAC9120, 16 bytes long.
Data: <à áö > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A9BDAC9E90, 16 bytes long.
Data: < áö > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A9BDAC9CB0, 16 bytes long.
Data: <p áö > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A9BDAC9EE0, 16 bytes long.
Data: < À áö > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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