Task 38686833
| Name | test_133-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5151_1 |
| Workunit | 31627989 |
| Created | 28 Oct 2026, 4:37:08 UTC |
| Sent | 28 Oct 2026, 4:37:11 UTC |
| Report deadline | 2 Nov 2026, 4:37:11 UTC |
| Received | 28 Oct 2026, 7:00:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653795 |
| Run time | 1 hours 10 min 10 sec |
| CPU time | 1 hours 7 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,071.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 647.98 MB |
| Peak swap size | 3.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:50:21 (14288): wrapper (7.9.26016): starting
00:50:21 (14288): 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
00:50:22 (14288): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:50:22 (14288): 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\8\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\8\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
02:00:03 (14288): C:/Windows/system32/cmd.exe exited; CPU time 4031.531250
02:00:03 (14288): 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: 50089817 bytes.
Dumping objects ->
{3835176} normal block at 0x000002C72B0163C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x000002C72B0158D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000002C72B0157F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835143} normal block at 0x000002C72B015780, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835132} normal block at 0x000002C72B016190, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835101} normal block at 0x000002C72CC74040, 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) : {3835088} normal block at 0x000002C72AFE6FD0, 8 bytes long.
Data: < ü*Ç > 00 00 FC 2A C7 02 00 00
{3833945} normal block at 0x000002C72AFE6F80, 8 bytes long.
Data: < ¥ý*Ç > 90 A5 FD 2A C7 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002C72AFF1450, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C72AFD5BC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000002C72AFF2E90, 16 bytes long.
Data: <H5ÿ*Ç > 48 35 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C72AFF2E40, 16 bytes long.
Data: < 5ÿ*Ç > 20 35 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C72AFED030, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000002C72AFF3070, 16 bytes long.
Data: <ø4ÿ*Ç > F8 34 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C72AFF2DF0, 16 bytes long.
Data: <Ð4ÿ*Ç > D0 34 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C72AFF2FD0, 16 bytes long.
Data: <¨4ÿ*Ç > A8 34 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C72AFF2DA0, 16 bytes long.
Data: < 4ÿ*Ç > 80 34 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C72AFEBE80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000002C72AFF2A80, 16 bytes long.
Data: <X[ý*Ç > 58 5B FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C72AFED6F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000002C72AFF2F80, 16 bytes long.
Data: <0[ý*Ç > 30 5B FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C72AFF2BC0, 16 bytes long.
Data: < [ý*Ç > 08 5B FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C72AFF31B0, 16 bytes long.
Data: <àZý*Ç > E0 5A FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C72AFF2D50, 16 bytes long.
Data: <¸Zý*Ç > B8 5A FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C72AFF2260, 16 bytes long.
Data: < Zý*Ç > 90 5A FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C72AFF2580, 16 bytes long.
Data: <hZý*Ç > 68 5A FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C72AFED930, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002C72AFF23F0, 16 bytes long.
Data: <@Zý*Ç > 40 5A FD 2A C7 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C72AFD5A40, 320 bytes long.
Data: <ð#ÿ*Ç 0Ùþ*Ç > F0 23 FF 2A C7 02 00 00 30 D9 FE 2A C7 02 00 00
{268} normal block at 0x000002C72AFF2D00, 16 bytes long.
Data: <`4ÿ*Ç > 60 34 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C72AFF2B70, 16 bytes long.
Data: <84ÿ*Ç > 38 34 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C72AFED270, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000002C72AFF23A0, 16 bytes long.
Data: < 4ÿ*Ç > 10 34 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C72AFED630, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000002C72AFF2C60, 16 bytes long.
Data: <X3ÿ*Ç > 58 33 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C72AFF2C10, 16 bytes long.
Data: <03ÿ*Ç > 30 33 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C72AFF2850, 16 bytes long.
Data: < 3ÿ*Ç > 08 33 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C72AFF2490, 16 bytes long.
Data: <à2ÿ*Ç > E0 32 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C72AFF22B0, 16 bytes long.
Data: <¸2ÿ*Ç > B8 32 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002C72AFF2530, 16 bytes long.
Data: < 2ÿ*Ç > 90 32 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002C72AFF2B20, 16 bytes long.
Data: <à»þ*Ç > E0 BB FE 2A C7 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002C72AFEBBE0, 40 bytes long.
Data: < +ÿ*Ç @@Ç,Ç > 20 2B FF 2A C7 02 00 00 40 40 C7 2C C7 02 00 00
{254} normal block at 0x000002C72AFF25D0, 16 bytes long.
Data: <p2ÿ*Ç > 70 32 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002C72AFF2EE0, 16 bytes long.
Data: <H2ÿ*Ç > 48 32 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002C72AFED5D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000002C72AFF2F30, 16 bytes long.
Data: < 2ÿ*Ç > 20 32 FF 2A C7 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002C72AFF3220, 992 bytes long.
Data: <0/ÿ*Ç ÐÕþ*Ç > 30 2F FF 2A C7 02 00 00 D0 D5 FE 2A C7 02 00 00
{86} normal block at 0x000002C72AFECC70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000002C72AFE6D50, 16 bytes long.
Data: <ð·þ*Ç > F0 B7 FE 2A C7 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002C72AFEB7F0, 40 bytes long.
Data: <Pmþ*Ç pÌþ*Ç > 50 6D FE 2A C7 02 00 00 70 CC FE 2A C7 02 00 00
{63} normal block at 0x000002C72AFE7160, 16 bytes long.
Data: < ê Uö > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002C72AFE6E40, 16 bytes long.
Data: <@é Uö > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002C72AFE7930, 16 bytes long.
Data: <øWýTö > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002C72AFE6B20, 16 bytes long.
Data: <ØWýTö > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002C72AFE74D0, 16 bytes long.
Data: <P ýTö > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002C72AFE72F0, 16 bytes long.
Data: <0 ýTö > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002C72AFE70C0, 16 bytes long.
Data: <à ýTö > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002C72AFE77A0, 16 bytes long.
Data: < ýTö > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002C72AFE6C10, 16 bytes long.
Data: <p ýTö > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002C72AFE7480, 16 bytes long.
Data: < ÀûTö > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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