Task 38686573
| Name | test_775-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7476_0 |
| Workunit | 31628002 |
| Created | 28 Oct 2026, 3:16:38 UTC |
| Sent | 28 Oct 2026, 3:16:43 UTC |
| Report deadline | 2 Nov 2026, 3:16:43 UTC |
| Received | 28 Oct 2026, 4:49:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 496592 |
| Run time | 45 min 25 sec |
| CPU time | 42 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,334.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 667.93 MB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
05:02:11 (18748): wrapper (7.9.26016): starting
05:02:11 (18748): 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
05:02:13 (18748): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:02:13 (18748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001D35929BA90>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/pyaml/
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
05:48:07 (18748): C:/Windows/system32/cmd.exe exited; CPU time 2570.234375
05:48:07 (18748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 37748455 bytes.
Dumping objects ->
{3835361} normal block at 0x000001C4CF6B0F40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835350} normal block at 0x000001C4CF6B14F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835339} normal block at 0x000001C4CF6B07D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835328} normal block at 0x000001C4CF6B0BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835317} normal block at 0x000001C4CF6B0A00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835286} normal block at 0x000001C4CF7DE5C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x000001C4CF760D60, 141 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) : {3835272} normal block at 0x000001C4CDCF8F20, 8 bytes long.
Data: < ÌÍÄ > 00 00 CC CD C4 01 00 00
{3834603} normal block at 0x000001C4CF760C90, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000001C4CDCF8C00, 8 bytes long.
Data: <°#}ÏÄ > B0 23 7D CF C4 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C4CDD041A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C4CDCED460, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001C4CDD05690, 16 bytes long.
Data: < bÐÍÄ > 98 62 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C4CDD055F0, 16 bytes long.
Data: <pbÐÍÄ > 70 62 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C4CDCFDAF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001C4CDD055A0, 16 bytes long.
Data: <HbÐÍÄ > 48 62 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C4CDD05230, 16 bytes long.
Data: < bÐÍÄ > 20 62 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C4CDD05000, 16 bytes long.
Data: <øaÐÍÄ > F8 61 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C4CDD052D0, 16 bytes long.
Data: <ÐaÐÍÄ > D0 61 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C4CDCFF110, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001C4CDD05550, 16 bytes long.
Data: <¸_ÎÍÄ > B8 5F CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C4CDCFDA90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001C4CDD05EB0, 16 bytes long.
Data: < _ÎÍÄ > 90 5F CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C4CDD05140, 16 bytes long.
Data: <h_ÎÍÄ > 68 5F CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C4CDD05C80, 16 bytes long.
Data: <@_ÎÍÄ > 40 5F CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C4CDD05870, 16 bytes long.
Data: < _ÎÍÄ > 18 5F CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C4CDD05C30, 16 bytes long.
Data: <ð^ÎÍÄ > F0 5E CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C4CDD05050, 16 bytes long.
Data: <È^ÎÍÄ > C8 5E CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C4CDCFD6D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001C4CDD05960, 16 bytes long.
Data: < ^ÎÍÄ > A0 5E CE CD C4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C4CDCE5EA0, 320 bytes long.
Data: <`YÐÍÄ ÐÖÏÍÄ > 60 59 D0 CD C4 01 00 00 D0 D6 CF CD C4 01 00 00
{271} normal block at 0x000001C4CDD05A50, 16 bytes long.
Data: <°aÐÍÄ > B0 61 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C4CDD05280, 16 bytes long.
Data: < aÐÍÄ > 88 61 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C4CDCFD970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001C4CDD05370, 16 bytes long.
Data: <`aÐÍÄ > 60 61 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C4CDCFD2B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001C4CDD053C0, 16 bytes long.
Data: <¨`ÐÍÄ > A8 60 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C4CDD050F0, 16 bytes long.
Data: < `ÐÍÄ > 80 60 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C4CDD05820, 16 bytes long.
Data: <X`ÐÍÄ > 58 60 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C4CDD057D0, 16 bytes long.
Data: <0`ÐÍÄ > 30 60 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C4CDD058C0, 16 bytes long.
Data: < `ÐÍÄ > 08 60 D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C4CDD04FB0, 16 bytes long.
Data: <à_ÐÍÄ > E0 5F D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C4CDD05500, 16 bytes long.
Data: <ÐëÏÍÄ > D0 EB CF CD C4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C4CDCFEBD0, 40 bytes long.
Data: < UÐÍÄ Àå}ÏÄ > 00 55 D0 CD C4 01 00 00 C0 E5 7D CF C4 01 00 00
{257} normal block at 0x000001C4CDD05DC0, 16 bytes long.
Data: <À_ÐÍÄ > C0 5F D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C4CDD05D70, 16 bytes long.
Data: < _ÐÍÄ > 98 5F D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C4CDCFDA30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001C4CDD05E10, 16 bytes long.
Data: <p_ÐÍÄ > 70 5F D0 CD C4 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001C4CDD05F70, 992 bytes long.
Data: < ^ÐÍÄ 0ÚÏÍÄ > 10 5E D0 CD C4 01 00 00 30 DA CF CD C4 01 00 00
{89} normal block at 0x000001C4CDCFDD90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001C4CDCF8700, 16 bytes long.
Data: < íÏÍÄ > 90 ED CF CD C4 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001C4CDCFED90, 40 bytes long.
Data: < ‡ÏÍÄ ÝÏÍÄ > 00 87 CF CD C4 01 00 00 90 DD CF CD C4 01 00 00
{66} normal block at 0x000001C4CDCF8980, 16 bytes long.
Data: < ê&·ö > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C4CDCF8520, 16 bytes long.
Data: <@é&·ö > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C4CDCF8B10, 16 bytes long.
Data: <øW#·ö > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C4CDCF8DE0, 16 bytes long.
Data: <ØW#·ö > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C4CDCF8840, 16 bytes long.
Data: <P #·ö > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C4CDCF8D40, 16 bytes long.
Data: <0 #·ö > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C4CDCF9010, 16 bytes long.
Data: <à #·ö > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C4CDCF8390, 16 bytes long.
Data: < #·ö > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C4CDCF8660, 16 bytes long.
Data: <p #·ö > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C4CDCF8B60, 16 bytes long.
Data: < À!·ö > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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