Task 38688930
| Name | test_441-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3934_0 |
| Workunit | 31630223 |
| Created | 28 Oct 2026, 17:04:51 UTC |
| Sent | 28 Oct 2026, 17:04:54 UTC |
| Report deadline | 2 Nov 2026, 17:04:54 UTC |
| Received | 28 Oct 2026, 17:46:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 30 min 2 sec |
| CPU time | 21 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.25 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:15:53 (26744): wrapper (7.9.26016): starting
10:15:53 (26744): 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
10:15:54 (26744): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:15:54 (26744): 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\6\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\6\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
10:44:58 (26744): C:/Windows/system32/cmd.exe exited; CPU time 1319.796875
10:44:58 (26744): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 26426677 bytes.
Dumping objects ->
{3835569} normal block at 0x0000029F9998BC80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x0000029F97C242E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x0000029F97C24270, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x0000029F97C24970, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x0000029F97C24900, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x0000029F999D56C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x0000029F97C49C40, 155 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) : {3835480} normal block at 0x0000029F97C1E7C0, 8 bytes long.
Data: < ¾—Ÿ > 00 00 BE 97 9F 02 00 00
{3834699} normal block at 0x0000029F97C497E0, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000029F97C1E680, 8 bytes long.
Data: <`K¦ Ÿ > 60 4B A6 99 9F 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029F97C20290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029F97C156E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000029F97C255E0, 16 bytes long.
Data: < _—Ÿ > 18 5F C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029F97C25040, 16 bytes long.
Data: <ð^—Ÿ > F0 5E C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029F97C1F0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000029F97C24E60, 16 bytes long.
Data: <È^—Ÿ > C8 5E C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029F97C25590, 16 bytes long.
Data: < ^—Ÿ > A0 5E C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029F97C24C80, 16 bytes long.
Data: <x^—Ÿ > 78 5E C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029F97C24CD0, 16 bytes long.
Data: <P^—Ÿ > 50 5E C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029F97C24580, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000029F97C253B0, 16 bytes long.
Data: <xÝÁ—Ÿ > 78 DD C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029F97C1F160, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000029F97C25950, 16 bytes long.
Data: <PÝÁ—Ÿ > 50 DD C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029F97C25540, 16 bytes long.
Data: <(ÝÁ—Ÿ > 28 DD C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029F97C25B80, 16 bytes long.
Data: < ÝÁ—Ÿ > 00 DD C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029F97C25180, 16 bytes long.
Data: <ØÜÁ—Ÿ > D8 DC C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029F97C25810, 16 bytes long.
Data: <°ÜÁ—Ÿ > B0 DC C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029F97C25270, 16 bytes long.
Data: < ÜÁ—Ÿ > 88 DC C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029F97C1F220, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000029F97C25720, 16 bytes long.
Data: <`ÜÁ—Ÿ > 60 DC C1 97 9F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029F97C1DC60, 320 bytes long.
Data: < W—Ÿ òÁ—Ÿ > 20 57 C2 97 9F 02 00 00 20 F2 C1 97 9F 02 00 00
{276} normal block at 0x0000029F97C24F00, 16 bytes long.
Data: <0^—Ÿ > 30 5E C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029F97C25360, 16 bytes long.
Data: < ^—Ÿ > 08 5E C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029F97C1F280, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000029F97C256D0, 16 bytes long.
Data: <à]—Ÿ > E0 5D C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029F97C1F1C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000029F97C258B0, 16 bytes long.
Data: <(]—Ÿ > 28 5D C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029F97C25900, 16 bytes long.
Data: < ]—Ÿ > 00 5D C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029F97C24C30, 16 bytes long.
Data: <Ø\—Ÿ > D8 5C C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029F97C257C0, 16 bytes long.
Data: <°\—Ÿ > B0 5C C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029F97C24E10, 16 bytes long.
Data: < \—Ÿ > 88 5C C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029F97C250E0, 16 bytes long.
Data: <`\—Ÿ > 60 5C C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029F97C25400, 16 bytes long.
Data: <ðE—Ÿ > F0 45 C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029F97C245F0, 40 bytes long.
Data: < T—Ÿ ÀV Ÿ > 00 54 C2 97 9F 02 00 00 C0 56 9D 99 9F 02 00 00
{262} normal block at 0x0000029F97C25860, 16 bytes long.
Data: <@\—Ÿ > 40 5C C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029F97C25770, 16 bytes long.
Data: < \—Ÿ > 18 5C C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029F97C1EF20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000029F97C24FF0, 16 bytes long.
Data: <ð[—Ÿ > F0 5B C2 97 9F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029F97C25BF0, 992 bytes long.
Data: <ðO—Ÿ ïÁ—Ÿ > F0 4F C2 97 9F 02 00 00 20 EF C1 97 9F 02 00 00
{94} normal block at 0x0000029F97C1F880, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000029F97C1EAE0, 16 bytes long.
Data: <°ïÀ—Ÿ > B0 EF C0 97 9F 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000029F97C0EFB0, 40 bytes long.
Data: <àêÁ—Ÿ øÁ—Ÿ > E0 EA C1 97 9F 02 00 00 80 F8 C1 97 9F 02 00 00
{71} normal block at 0x0000029F97C1DF50, 16 bytes long.
Data: < ê#A÷ > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029F97C1E220, 16 bytes long.
Data: <@é#A÷ > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029F97C1E2C0, 16 bytes long.
Data: <øW A÷ > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029F97C1EE00, 16 bytes long.
Data: <ØW A÷ > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029F97C1E040, 16 bytes long.
Data: <P A÷ > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029F97C1E5E0, 16 bytes long.
Data: <0 A÷ > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029F97C1E770, 16 bytes long.
Data: <à A÷ > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029F97C1DFF0, 16 bytes long.
Data: < A÷ > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029F97C1EC70, 16 bytes long.
Data: <p A÷ > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029F97C1E630, 16 bytes long.
Data: < À A÷ > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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