Task 38647377
| Name | test_274-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND0232_0 |
| Workunit | 31592111 |
| Created | 23 Oct 2026, 20:07:27 UTC |
| Sent | 23 Oct 2026, 20:26:43 UTC |
| Report deadline | 28 Oct 2026, 20:26:43 UTC |
| Received | 23 Oct 2026, 21:10:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 42 min 56 sec |
| CPU time | 30 min 37 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 688.07 MB |
| Peak swap size | 3.09 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:29:31 (1368): wrapper (7.9.26016): starting
22:29:31 (1368): 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
22:29:40 (1368): Library/usr/bin/tar.exe exited; CPU time 0.031250
22:29:40 (1368): 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\7\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\7\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
23:09:50 (1368): C:/Windows/system32/cmd.exe exited; CPU time 1837.656250
23:09:50 (1368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 40148015 bytes.
Dumping objects ->
{3835268} normal block at 0x0000028DB69D1C70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835257} normal block at 0x0000028DB4D69220, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x0000028DB4D68FF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835235} normal block at 0x0000028DB4D694C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x0000028DB4D68F80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835193} normal block at 0x0000028DB6A1E090, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000028DB6A33770, 102 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) : {3835178} normal block at 0x0000028DB4D62190, 8 bytes long.
Data: < #µ > 00 00 23 B5 8D 02 00 00
{3834559} normal block at 0x0000028DB6A33090, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000028DB4D61DD0, 8 bytes long.
Data: <°•§¶ > B0 95 A7 B6 8D 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028DB4D5D410, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028DB4D55F30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000028DB4D6A390, 16 bytes long.
Data: <8°Ö´ > 38 B0 D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028DB4D6A2F0, 16 bytes long.
Data: < °Ö´ > 10 B0 D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028DB4D64430, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000028DB4D6AA70, 16 bytes long.
Data: <è¯Ö´ > E8 AF D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028DB4D69F80, 16 bytes long.
Data: <À¯Ö´ > C0 AF D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028DB4D6A9D0, 16 bytes long.
Data: < ¯Ö´ > 98 AF D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028DB4D6A7A0, 16 bytes long.
Data: <p¯Ö´ > 70 AF D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028DB4D69290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000028DB4D6A0C0, 16 bytes long.
Data: < JÕ´ > 88 4A D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028DB4D63FB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000028DB4D6AAC0, 16 bytes long.
Data: <`JÕ´ > 60 4A D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028DB4D6A020, 16 bytes long.
Data: <8JÕ´ > 38 4A D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028DB4D69F30, 16 bytes long.
Data: < JÕ´ > 10 4A D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028DB4D6A6B0, 16 bytes long.
Data: <èIÕ´ > E8 49 D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028DB4D6A840, 16 bytes long.
Data: <ÀIÕ´ > C0 49 D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028DB4D6A110, 16 bytes long.
Data: < IÕ´ > 98 49 D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028DB4D64070, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000028DB4D69DF0, 16 bytes long.
Data: <pIÕ´ > 70 49 D5 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028DB4D54970, 320 bytes long.
Data: <ðÖ´ p@Ö´ > F0 9D D6 B4 8D 02 00 00 70 40 D6 B4 8D 02 00 00
{274} normal block at 0x0000028DB4D6A340, 16 bytes long.
Data: <P¯Ö´ > 50 AF D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028DB4D6A7F0, 16 bytes long.
Data: <(¯Ö´ > 28 AF D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028DB4D64610, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000028DB4D6A200, 16 bytes long.
Data: < ¯Ö´ > 00 AF D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028DB4D63EF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000028DB4D69DA0, 16 bytes long.
Data: <H®Ö´ > 48 AE D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028DB4D6ACA0, 16 bytes long.
Data: < ®Ö´ > 20 AE D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028DB4D6A160, 16 bytes long.
Data: <ø­Ö´ > F8 AD D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028DB4D6A8E0, 16 bytes long.
Data: <Эִ > D0 AD D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028DB4D69E40, 16 bytes long.
Data: <¨­Ö´ > A8 AD D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028DB4D6A250, 16 bytes long.
Data: < ­Ö´ > 80 AD D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028DB4D6A570, 16 bytes long.
Data: <Ð Ö´ > D0 90 D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028DB4D690D0, 40 bytes long.
Data: <p¥Ö´ à ¶ > 70 A5 D6 B4 8D 02 00 00 90 E0 A1 B6 8D 02 00 00
{260} normal block at 0x0000028DB4D69FD0, 16 bytes long.
Data: <`­Ö´ > 60 AD D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028DB4D6A2A0, 16 bytes long.
Data: <8­Ö´ > 38 AD D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028DB4D63DD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000028DB4D69EE0, 16 bytes long.
Data: < ­Ö´ > 10 AD D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000028DB4D6AD10, 992 bytes long.
Data: <àžÖ´ Ð=Ö´ > E0 9E D6 B4 8D 02 00 00 D0 3D D6 B4 8D 02 00 00
{92} normal block at 0x0000028DB4D63CB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000028DB4D627D0, 16 bytes long.
Data: < “Ö´ > 00 93 D6 B4 8D 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000028DB4D69300, 40 bytes long.
Data: <Ð'Ö´ °<Ö´ > D0 27 D6 B4 8D 02 00 00 B0 3C D6 B4 8D 02 00 00
{69} normal block at 0x0000028DB4D61B50, 16 bytes long.
Data: < ê àö > 80 EA 80 E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028DB4D61BF0, 16 bytes long.
Data: <@é àö > 40 E9 80 E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028DB4D62140, 16 bytes long.
Data: <øW}àö > F8 57 7D E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028DB4D626E0, 16 bytes long.
Data: <ØW}àö > D8 57 7D E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028DB4D61FB0, 16 bytes long.
Data: <P }àö > 50 04 7D E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028DB4D61BA0, 16 bytes long.
Data: <0 }àö > 30 04 7D E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028DB4D62000, 16 bytes long.
Data: <à }àö > E0 02 7D E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028DB4D62230, 16 bytes long.
Data: < }àö > 10 04 7D E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028DB4D620A0, 16 bytes long.
Data: <p }àö > 70 04 7D E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000028DB4D61E70, 16 bytes long.
Data: < À{àö > 18 C0 7B E0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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