Task 38699979
| Name | test_913-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4979_0 |
| Workunit | 31640319 |
| Created | 6 Nov 2026, 11:47:25 UTC |
| Sent | 6 Nov 2026, 11:47:29 UTC |
| Report deadline | 11 Nov 2026, 11:47:29 UTC |
| Received | 6 Nov 2026, 12:43:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 596137 |
| Run time | 55 min 9 sec |
| CPU time | 51 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,670.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.67 MB |
| Peak swap size | 3.86 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:49:36 (4172): wrapper (7.9.26016): starting
12:49:36 (4172): 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
12:49:39 (4172): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:49:39 (4172): 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\2\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\2\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
13:42:52 (4172): C:/Windows/system32/cmd.exe exited; CPU time 3108.890625
13:42:52 (4172): 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: 38320697 bytes.
Dumping objects ->
{3835420} normal block at 0x0000024E98376020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x0000024E98375C30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835398} normal block at 0x0000024E98375ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835387} normal block at 0x0000024E98375DF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835376} normal block at 0x0000024E967FB750, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835345} normal block at 0x0000024E9828B050, 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) : {3835332} normal block at 0x0000024E967F6A50, 8 bytes long.
Data: < N > 00 00 1C 98 4E 02 00 00
{3833953} normal block at 0x0000024E967F69B0, 8 bytes long.
Data: <àG7 N > E0 47 37 98 4E 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024E96801050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024E967EAD90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000024E96802040, 16 bytes long.
Data: < 6 –N > 88 36 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024E96801FF0, 16 bytes long.
Data: <`6 –N > 60 36 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024E967FD340, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000024E96801FA0, 16 bytes long.
Data: <86 –N > 38 36 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024E968029A0, 16 bytes long.
Data: < 6 –N > 10 36 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024E96802DB0, 16 bytes long.
Data: <è5 –N > E8 35 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024E96802C70, 16 bytes long.
Data: <À5 –N > C0 35 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024E967FB3D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000024E96802810, 16 bytes long.
Data: < Ä –N > 88 C4 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024E967FCE00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000024E96802EF0, 16 bytes long.
Data: <`Ä –N > 60 C4 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024E96802680, 16 bytes long.
Data: <8Ä –N > 38 C4 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024E968027C0, 16 bytes long.
Data: < Ä –N > 10 C4 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024E96802090, 16 bytes long.
Data: <èà –N > E8 C3 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024E96802C20, 16 bytes long.
Data: <ÀÃ –N > C0 C3 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024E968024F0, 16 bytes long.
Data: < Ã –N > 98 C3 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024E967FCDA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000024E96802720, 16 bytes long.
Data: <pà –N > 70 C3 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024E967FC370, 320 bytes long.
Data: < ' –N  Í –N > 20 27 80 96 4E 02 00 00 A0 CD 7F 96 4E 02 00 00
{272} normal block at 0x0000024E96802E50, 16 bytes long.
Data: < 5 –N > A0 35 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024E968024A0, 16 bytes long.
Data: <x5 –N > 78 35 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024E967FCCE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000024E96802EA0, 16 bytes long.
Data: <P5 –N > 50 35 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024E967FC860, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000024E968021D0, 16 bytes long.
Data: < 4 –N > 98 34 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024E96802360, 16 bytes long.
Data: <p4 –N > 70 34 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024E96802400, 16 bytes long.
Data: <H4 –N > 48 34 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024E96802D10, 16 bytes long.
Data: < 4 –N > 20 34 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024E96802630, 16 bytes long.
Data: <ø3 –N > F8 33 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024E96802B30, 16 bytes long.
Data: <Ð3 –N > D0 33 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024E96802310, 16 bytes long.
Data: <À° –N > C0 B0 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024E967FB0C0, 40 bytes long.
Data: < # –N P°( N > 10 23 80 96 4E 02 00 00 50 B0 28 98 4E 02 00 00
{258} normal block at 0x0000024E96802770, 16 bytes long.
Data: <°3 –N > B0 33 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024E968025E0, 16 bytes long.
Data: < 3 –N > 88 33 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024E967FCC20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000024E96802900, 16 bytes long.
Data: <`3 –N > 60 33 80 96 4E 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000024E96803360, 992 bytes long.
Data: < ) –N Ì –N > 00 29 80 96 4E 02 00 00 20 CC 7F 96 4E 02 00 00
{90} normal block at 0x0000024E967FC800, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000024E967F6780, 16 bytes long.
Data: <P° –N > 50 B0 7F 96 4E 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000024E967FB050, 40 bytes long.
Data: < g –N È –N > 80 67 7F 96 4E 02 00 00 00 C8 7F 96 4E 02 00 00
{67} normal block at 0x0000024E967F6690, 16 bytes long.
Data: < ê‹ßö > 80 EA 8B DF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024E967F65A0, 16 bytes long.
Data: <@é‹ßö > 40 E9 8B DF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024E967F6410, 16 bytes long.
Data: <øW ßö > F8 57 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024E967F7220, 16 bytes long.
Data: <ØW ßö > D8 57 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024E967F63C0, 16 bytes long.
Data: <P ßö > 50 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024E967F71D0, 16 bytes long.
Data: <0 ßö > 30 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024E967F6FF0, 16 bytes long.
Data: <à ßö > E0 02 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024E967F6E60, 16 bytes long.
Data: < ßö > 10 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024E967F6FA0, 16 bytes long.
Data: <p ßö > 70 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024E967F68C0, 16 bytes long.
Data: < À†ßö > 18 C0 86 DF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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