Task 38681417
| Name | test_498-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3850_0 |
| Workunit | 31623082 |
| Created | 27 Oct 2026, 3:53:34 UTC |
| Sent | 27 Oct 2026, 3:53:36 UTC |
| Report deadline | 1 Nov 2026, 3:53:36 UTC |
| Received | 27 Oct 2026, 4:45:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654838 |
| Run time | 15 min 25 sec |
| CPU time | 14 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.84 MB |
| Peak swap size | 13.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:29:54 (42144): wrapper (7.9.26016): starting
00:29:54 (42144): 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
00:29:55 (42144): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:29:55 (42144): 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\0\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\0\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
00:44:41 (42144): C:/Windows/system32/cmd.exe exited; CPU time 879.843750
00:44:41 (42144): 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: 21325941 bytes.
Dumping objects ->
{3835501} normal block at 0x0000021B9FC121A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x0000021B9FC11B80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x0000021B9FC11B10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835468} normal block at 0x0000021B9FC12130, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x0000021B9FC11E90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835426} normal block at 0x0000021BA19DAC60, 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) : {3835413} normal block at 0x0000021B9FC0BDF0, 8 bytes long.
Data: < ½Ÿ > 00 00 BD 9F 1B 02 00 00
{3833939} normal block at 0x0000021B9FC0C980, 8 bytes long.
Data: <à §¡ > E0 80 A7 A1 1B 02 00 00
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000021B9FC0CBD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021B9FC04DF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{285} normal block at 0x0000021B9FC12FE0, 16 bytes long.
Data: <h,ÁŸ > 68 2C C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021B9FC13940, 16 bytes long.
Data: <@,ÁŸ > 40 2C C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021B9FC11270, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{282} normal block at 0x0000021B9FC13350, 16 bytes long.
Data: < ,ÁŸ > 18 2C C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021B9FC130D0, 16 bytes long.
Data: <ð+ÁŸ > F0 2B C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021B9FC12E00, 16 bytes long.
Data: <È+ÁŸ > C8 2B C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021B9FC13170, 16 bytes long.
Data: < +ÁŸ > A0 2B C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021B9FC11C60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{277} normal block at 0x0000021B9FC13580, 16 bytes long.
Data: < „ÀŸ > 88 84 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021B9FC11690, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{275} normal block at 0x0000021B9FC13670, 16 bytes long.
Data: <`„ÀŸ > 60 84 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021B9FC138F0, 16 bytes long.
Data: <8„ÀŸ > 38 84 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021B9FC13530, 16 bytes long.
Data: < „ÀŸ > 10 84 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021B9FC12E50, 16 bytes long.
Data: <èƒÀŸ > E8 83 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021B9FC13260, 16 bytes long.
Data: <ÀƒÀŸ > C0 83 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021B9FC138A0, 16 bytes long.
Data: < ƒÀŸ > 98 83 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021B9FC10C10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{267} normal block at 0x0000021B9FC13210, 16 bytes long.
Data: <pƒÀŸ > 70 83 C0 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021B9FC08370, 320 bytes long.
Data: < 2ÁŸ ÁŸ > 10 32 C1 9F 1B 02 00 00 10 0C C1 9F 1B 02 00 00
{265} normal block at 0x0000021B9FC12DB0, 16 bytes long.
Data: < +ÁŸ > 80 2B C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021B9FC13620, 16 bytes long.
Data: <X+ÁŸ > 58 2B C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021B9FC10C70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{262} normal block at 0x0000021B9FC13A30, 16 bytes long.
Data: <0+ÁŸ > 30 2B C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021B9FC11150, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{260} normal block at 0x0000021B9FC133A0, 16 bytes long.
Data: <x*ÁŸ > 78 2A C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021B9FC13D00, 16 bytes long.
Data: <P*ÁŸ > 50 2A C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021B9FC13CB0, 16 bytes long.
Data: <(*ÁŸ > 28 2A C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021B9FC13300, 16 bytes long.
Data: < *ÁŸ > 00 2A C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021B9FC0C930, 16 bytes long.
Data: <Ø)ÁŸ > D8 29 C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021B9FC0C4D0, 16 bytes long.
Data: <°)ÁŸ > B0 29 C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021B9FC0C390, 16 bytes long.
Data: <ð ÁŸ > F0 1B C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000021B9FC11BF0, 40 bytes long.
Data: < ÃÀŸ `¬ ¡ > 90 C3 C0 9F 1B 02 00 00 60 AC 9D A1 1B 02 00 00
{251} normal block at 0x0000021B9FC0C160, 16 bytes long.
Data: < )ÁŸ > 90 29 C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000021B9FC0BAD0, 16 bytes long.
Data: <h)ÁŸ > 68 29 C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000021B9FC10F10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{248} normal block at 0x0000021B9FC0C8E0, 16 bytes long.
Data: <@)ÁŸ > 40 29 C1 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x0000021B9FC12940, 992 bytes long.
Data: <àÈÀŸ ÁŸ > E0 C8 C0 9F 1B 02 00 00 10 0F C1 9F 1B 02 00 00
{83} normal block at 0x0000021B9FC11030, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{82} normal block at 0x0000021B9FC0BB70, 16 bytes long.
Data: < Õ¿Ÿ > 00 D5 BF 9F 1B 02 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000021B9FBFD500, 40 bytes long.
Data: <p»ÀŸ 0 ÁŸ > 70 BB C0 9F 1B 02 00 00 30 10 C1 9F 1B 02 00 00
{60} normal block at 0x0000021B9FC0C1B0, 16 bytes long.
Data: < ê^S÷ > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021B9FC0C200, 16 bytes long.
Data: <@é^S÷ > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021B9FC0BD50, 16 bytes long.
Data: <øW[S÷ > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021B9FC0C5C0, 16 bytes long.
Data: <ØW[S÷ > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000021B9FC0C660, 16 bytes long.
Data: <P [S÷ > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000021B9FC0BBC0, 16 bytes long.
Data: <0 [S÷ > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000021B9FC0C520, 16 bytes long.
Data: <à [S÷ > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000021B9FC0C2A0, 16 bytes long.
Data: < [S÷ > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000021B9FC0BEE0, 16 bytes long.
Data: <p [S÷ > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x0000021B9FC0BCB0, 16 bytes long.
Data: < ÀYS÷ > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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