Task 38657280
| Name | test_917-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND9499_1 |
| Workunit | 31600746 |
| Created | 24 Oct 2026, 11:30:04 UTC |
| Sent | 24 Oct 2026, 11:33:13 UTC |
| Report deadline | 29 Oct 2026, 11:33:13 UTC |
| Received | 24 Oct 2026, 12:27:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652623 |
| Run time | 23 min 7 sec |
| CPU time | 22 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,130.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 748.57 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:04:45 (11256): wrapper (7.9.26016): starting
08:04:45 (11256): 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
08:04:46 (11256): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:04:46 (11256): 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\16\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\16\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
08:26:58 (11256): C:/Windows/system32/cmd.exe exited; CPU time 1320.593750
08:26:58 (11256): 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: 32251709 bytes.
Dumping objects ->
{3835439} normal block at 0x000002530979D2D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835428} normal block at 0x0000025307AE5820, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x0000025307AE5350, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835406} normal block at 0x0000025307AE5900, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835395} normal block at 0x0000025307AE57B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835364} normal block at 0x00000253097E85C0, 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) : {3835351} normal block at 0x0000025307AE0840, 8 bytes long.
Data: < ¦ S > 00 00 A6 07 53 02 00 00
{3833967} normal block at 0x0000025307AE07A0, 8 bytes long.
Data: < D„ S > 90 44 84 09 53 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025307AE26B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000025307AD7300, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000025307AE6A50, 16 bytes long.
Data: <Hr® S > 48 72 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025307AE6E10, 16 bytes long.
Data: < r® S > 20 72 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025307ADE730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000025307AE64B0, 16 bytes long.
Data: <øq® S > F8 71 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025307AE66E0, 16 bytes long.
Data: <Ðq® S > D0 71 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025307AE6DC0, 16 bytes long.
Data: <¨q® S > A8 71 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025307AE6BE0, 16 bytes long.
Data: < q® S > 80 71 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025307AE5430, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000025307AE6D20, 16 bytes long.
Data: <(÷­ S > 28 F7 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025307ADE070, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000025307AE61E0, 16 bytes long.
Data: < ÷­ S > 00 F7 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025307AE6820, 16 bytes long.
Data: <Øö­ S > D8 F6 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025307AE5F60, 16 bytes long.
Data: <°ö­ S > B0 F6 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025307AE68C0, 16 bytes long.
Data: < ö­ S > 88 F6 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025307AE6CD0, 16 bytes long.
Data: <`ö­ S > 60 F6 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025307AE6AA0, 16 bytes long.
Data: <8ö­ S > 38 F6 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025307ADDA70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000025307AE6D70, 16 bytes long.
Data: < ö­ S > 10 F6 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025307ADF610, 320 bytes long.
Data: <pm® S pÚ­ S > 70 6D AE 07 53 02 00 00 70 DA AD 07 53 02 00 00
{279} normal block at 0x0000025307AE6A00, 16 bytes long.
Data: <`q® S > 60 71 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025307AE6EB0, 16 bytes long.
Data: <8q® S > 38 71 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025307ADE190, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000025307AE6C30, 16 bytes long.
Data: < q® S > 10 71 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025307ADE6D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000025307AE65F0, 16 bytes long.
Data: <Xp® S > 58 70 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025307AE6410, 16 bytes long.
Data: <0p® S > 30 70 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025307AE63C0, 16 bytes long.
Data: < p® S > 08 70 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025307AE69B0, 16 bytes long.
Data: <ào® S > E0 6F AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025307AE6B90, 16 bytes long.
Data: <¸o® S > B8 6F AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025307AE6C80, 16 bytes long.
Data: < o® S > 90 6F AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025307AE6140, 16 bytes long.
Data: < U® S > 10 55 AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025307AE5510, 40 bytes long.
Data: <@a® S À…~ S > 40 61 AE 07 53 02 00 00 C0 85 7E 09 53 02 00 00
{265} normal block at 0x0000025307AE6370, 16 bytes long.
Data: <po® S > 70 6F AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025307AE6230, 16 bytes long.
Data: <Ho® S > 48 6F AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025307ADE3D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000025307AE6780, 16 bytes long.
Data: < o® S > 20 6F AE 07 53 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025307AE6F20, 992 bytes long.
Data: < g® S Ðã­ S > 80 67 AE 07 53 02 00 00 D0 E3 AD 07 53 02 00 00
{97} normal block at 0x0000025307ADE610, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000025307AE02F0, 16 bytes long.
Data: < P­ S > A0 50 AD 07 53 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000025307AD50A0, 40 bytes long.
Data: <ð ® S æ­ S > F0 02 AE 07 53 02 00 00 10 E6 AD 07 53 02 00 00
{74} normal block at 0x0000025307AE09D0, 16 bytes long.
Data: < ê)C÷ > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000025307AE0B10, 16 bytes long.
Data: <@é)C÷ > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000025307AE0430, 16 bytes long.
Data: <øW&C÷ > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025307ADFDF0, 16 bytes long.
Data: <ØW&C÷ > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025307AE04D0, 16 bytes long.
Data: <P &C÷ > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025307ADFC60, 16 bytes long.
Data: <0 &C÷ > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025307AE0020, 16 bytes long.
Data: <à &C÷ > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025307AE0480, 16 bytes long.
Data: < &C÷ > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025307AE0250, 16 bytes long.
Data: <p &C÷ > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025307AE0070, 16 bytes long.
Data: < À$C÷ > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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