Task 38681017
| Name | test_485-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4607_0 |
| Workunit | 31622706 |
| Created | 27 Oct 2026, 2:16:26 UTC |
| Sent | 27 Oct 2026, 2:16:36 UTC |
| Report deadline | 1 Nov 2026, 2:16:36 UTC |
| Received | 27 Oct 2026, 2:49:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652808 |
| Run time | 30 min 1 sec |
| CPU time | 27 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,847.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.30 MB |
| Peak swap size | 5.40 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:18:38 (22440): wrapper (7.9.26016): starting
03:18:38 (22440): 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
03:18:39 (22440): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:18:39 (22440): 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
03:48:48 (22440): C:/Windows/system32/cmd.exe exited; CPU time 1652.125000
03:48:48 (22440): 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: 31934105 bytes.
Dumping objects ->
{3835197} normal block at 0x0000022873898230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x0000022871AD4E70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x0000022871AD5420, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835164} normal block at 0x0000022871AD4EE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x0000022871AD53B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835122} normal block at 0x0000022873846F60, 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) : {3835109} normal block at 0x0000022871ACF650, 8 bytes long.
Data: < üq( > 00 00 FC 71 28 02 00 00
{3833961} normal block at 0x0000022871ACFB50, 8 bytes long.
Data: < Ü«q( > 10 DC AB 71 28 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022871AD1560, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022871AC5D10, 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 0x0000022871AD59B0, 16 bytes long.
Data: <Èi­q( > C8 69 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022871AD5C30, 16 bytes long.
Data: < i­q( > A0 69 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022871ACDD80, 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 0x0000022871AD5BE0, 16 bytes long.
Data: <xi­q( > 78 69 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022871AD5960, 16 bytes long.
Data: <Pi­q( > 50 69 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022871AD65E0, 16 bytes long.
Data: <(i­q( > 28 69 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022871AD5910, 16 bytes long.
Data: < i­q( > 00 69 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022871AD5110, 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 0x0000022871AD5B40, 16 bytes long.
Data: < ¬q( > 08 8F AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022871ACDB40, 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 0x0000022871AD6310, 16 bytes long.
Data: <àŽ¬q( > E0 8E AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022871AD5D70, 16 bytes long.
Data: <¸Ž¬q( > B8 8E AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022871AD6400, 16 bytes long.
Data: < Ž¬q( > 90 8E AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022871AD6180, 16 bytes long.
Data: <hŽ¬q( > 68 8E AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022871AD5FA0, 16 bytes long.
Data: <@Ž¬q( > 40 8E AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022871AD57D0, 16 bytes long.
Data: < Ž¬q( > 18 8E AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022871ACD420, 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 0x0000022871AD5AF0, 16 bytes long.
Data: <ð ¬q( > F0 8D AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022871AC8DF0, 320 bytes long.
Data: <ðZ­q( Ô¬q( > F0 5A AD 71 28 02 00 00 20 D4 AC 71 28 02 00 00
{276} normal block at 0x0000022871AD5DC0, 16 bytes long.
Data: <àh­q( > E0 68 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022871AD62C0, 16 bytes long.
Data: <¸h­q( > B8 68 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022871ACDF60, 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 0x0000022871AD5AA0, 16 bytes long.
Data: < h­q( > 90 68 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022871ACD9C0, 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 0x0000022871AD6220, 16 bytes long.
Data: <Øg­q( > D8 67 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022871AD5FF0, 16 bytes long.
Data: <°g­q( > B0 67 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022871AD6630, 16 bytes long.
Data: < g­q( > 88 67 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022871AD5A50, 16 bytes long.
Data: <`g­q( > 60 67 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022871AD58C0, 16 bytes long.
Data: <8g­q( > 38 67 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022871AD6270, 16 bytes long.
Data: < g­q( > 10 67 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022871AD63B0, 16 bytes long.
Data: < M­q( > 20 4D AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022871AD4D20, 40 bytes long.
Data: <°c­q( `o„s( > B0 63 AD 71 28 02 00 00 60 6F 84 73 28 02 00 00
{262} normal block at 0x0000022871AD6130, 16 bytes long.
Data: <ðf­q( > F0 66 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022871AD5730, 16 bytes long.
Data: <Èf­q( > C8 66 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022871ACDEA0, 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 0x0000022871AD5B90, 16 bytes long.
Data: < f­q( > A0 66 AD 71 28 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022871AD66A0, 992 bytes long.
Data: < [­q(  Þ¬q( > 90 5B AD 71 28 02 00 00 A0 DE AC 71 28 02 00 00
{94} normal block at 0x0000022871ACDC00, 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 0x0000022871ACF4C0, 16 bytes long.
Data: < í¬q( > 80 ED AC 71 28 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000022871ACED80, 40 bytes long.
Data: <Àô¬q( ܬq( > C0 F4 AC 71 28 02 00 00 00 DC AC 71 28 02 00 00
{71} normal block at 0x0000022871ACF600, 16 bytes long.
Data: < ê² ö > 80 EA B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022871ACFAB0, 16 bytes long.
Data: <@é² ö > 40 E9 B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022871ACFD80, 16 bytes long.
Data: <øW¯ ö > F8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022871ACF9C0, 16 bytes long.
Data: <ØW¯ ö > D8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022871ACFCE0, 16 bytes long.
Data: <P ¯ ö > 50 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022871ACFA60, 16 bytes long.
Data: <0 ¯ ö > 30 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022871ACF970, 16 bytes long.
Data: <à ¯ ö > E0 02 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022871ACFC40, 16 bytes long.
Data: < ¯ ö > 10 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022871ACF8D0, 16 bytes long.
Data: <p ¯ ö > 70 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022871ACFC90, 16 bytes long.
Data: < À­ ö > 18 C0 AD 09 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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