Task 38676557
| Name | test_606-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9330_1 |
| Workunit | 31608517 |
| Created | 26 Oct 2026, 11:39:48 UTC |
| Sent | 26 Oct 2026, 11:39:56 UTC |
| Report deadline | 31 Oct 2026, 11:39:56 UTC |
| Received | 27 Oct 2026, 6:47:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618719 |
| Run time | 18 hours 53 min 3 sec |
| CPU time | 18 hours 37 min 52 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 4,538.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 646.36 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:57:44 (2016): wrapper (7.9.26016): starting
12:57:44 (2016): 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
12:57:47 (2016): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:57:47 (2016): 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\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 'C:\ProgramData\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
07:46:14 (2016): C:/Windows/system32/cmd.exe exited; CPU time 67072.343750
07:46:14 (2016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 713584421 bytes.
Dumping objects ->
{3835251} normal block at 0x000001F1CBA212F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x000001F1CBA219F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001F1CBA21D00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x000001F1CBA21980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x000001F1CBA21280, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x000001F1CBACC2E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x000001F1C9FA7390, 145 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) : {3835162} normal block at 0x000001F1C9F402D0, 8 bytes long.
Data: < ïÉñ > 00 00 EF C9 F1 01 00 00
{3834548} normal block at 0x000001F1C9FA7050, 145 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001F1C9F40410, 8 bytes long.
Data: < Ô Êñ > 20 D4 01 CA F1 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F1C9F409A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F1C9F2AAB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001F1C9F35F50, 16 bytes long.
Data: <È ôÉñ > C8 1F F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F1C9F35F00, 16 bytes long.
Data: <  ôÉñ > A0 1F F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F1C9F3CB10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001F1C9F36A90, 16 bytes long.
Data: <x ôÉñ > 78 1F F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F1C9F35EB0, 16 bytes long.
Data: <P ôÉñ > 50 1F F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F1C9F36A40, 16 bytes long.
Data: <( ôÉñ > 28 1F F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F1C9F369A0, 16 bytes long.
Data: < ôÉñ > 00 1F F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F1C9F3AA10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001F1C9F367C0, 16 bytes long.
Data: < ½óÉñ > 88 BD F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F1C9F3C5D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001F1C9F36720, 16 bytes long.
Data: <`½óÉñ > 60 BD F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F1C9F36630, 16 bytes long.
Data: <8½óÉñ > 38 BD F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F1C9F36950, 16 bytes long.
Data: < ½óÉñ > 10 BD F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F1C9F36540, 16 bytes long.
Data: <è¼óÉñ > E8 BC F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F1C9F403C0, 16 bytes long.
Data: <À¼óÉñ > C0 BC F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F1C9F40320, 16 bytes long.
Data: < ¼óÉñ > 98 BC F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F1C9F3C570, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001F1C9F405F0, 16 bytes long.
Data: <p¼óÉñ > 70 BC F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F1C9F3BC70, 320 bytes long.
Data: <ð ôÉñ pÅóÉñ > F0 05 F4 C9 F1 01 00 00 70 C5 F3 C9 F1 01 00 00
{268} normal block at 0x000001F1C9F40280, 16 bytes long.
Data: <à ôÉñ > E0 1E F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F1C9F401E0, 16 bytes long.
Data: <¸ ôÉñ > B8 1E F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F1C9F3C1B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001F1C9F405A0, 16 bytes long.
Data: < ôÉñ > 90 1E F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F1C9F3C510, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001F1C9F40230, 16 bytes long.
Data: <Ø ôÉñ > D8 1D F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F1C9F40780, 16 bytes long.
Data: <° ôÉñ > B0 1D F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F1C9F40550, 16 bytes long.
Data: < ôÉñ > 88 1D F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F1C9F40500, 16 bytes long.
Data: <` ôÉñ > 60 1D F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F1C9F40460, 16 bytes long.
Data: <8 ôÉñ > 38 1D F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F1C9F40190, 16 bytes long.
Data: < ôÉñ > 10 1D F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F1C9F40140, 16 bytes long.
Data: < °óÉñ > A0 B0 F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F1C9F3B0A0, 40 bytes long.
Data: <@ ôÉñ à¬Ëñ > 40 01 F4 C9 F1 01 00 00 E0 C2 AC CB F1 01 00 00
{254} normal block at 0x000001F1C9F400A0, 16 bytes long.
Data: <ð ôÉñ > F0 1C F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F1C9F40730, 16 bytes long.
Data: <È ôÉñ > C8 1C F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F1C9F3C9F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001F1C9F40690, 16 bytes long.
Data: <  ôÉñ > A0 1C F4 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F1C9F41CA0, 992 bytes long.
Data: < ôÉñ ðÉóÉñ > 90 06 F4 C9 F1 01 00 00 F0 C9 F3 C9 F1 01 00 00
{86} normal block at 0x000001F1C9F3CB70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001F1C9F35CD0, 16 bytes long.
Data: <à®óÉñ > E0 AE F3 C9 F1 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001F1C9F3AEE0, 40 bytes long.
Data: <Ð\óÉñ pËóÉñ > D0 5C F3 C9 F1 01 00 00 70 CB F3 C9 F1 01 00 00
{63} normal block at 0x000001F1C9F362C0, 16 bytes long.
Data: < ꚥö > 80 EA 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F1C9F36360, 16 bytes long.
Data: <@隥ö > 40 E9 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F1C9F35DC0, 16 bytes long.
Data: <øW—¥ö > F8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F1C9F36680, 16 bytes long.
Data: <ØW—¥ö > D8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F1C9F36400, 16 bytes long.
Data: <P —¥ö > 50 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F1C9F363B0, 16 bytes long.
Data: <0 —¥ö > 30 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F1C9F36220, 16 bytes long.
Data: <à —¥ö > E0 02 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F1C9F36B30, 16 bytes long.
Data: < —¥ö > 10 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F1C9F36130, 16 bytes long.
Data: <p —¥ö > 70 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001F1C9F35C80, 16 bytes long.
Data: < À•¥ö > 18 C0 95 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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