Task 38686208
| Name | test_140-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6553_0 |
| Workunit | 31627646 |
| Created | 28 Oct 2026, 1:18:07 UTC |
| Sent | 28 Oct 2026, 1:18:09 UTC |
| Report deadline | 2 Nov 2026, 1:18:09 UTC |
| Received | 28 Oct 2026, 4:36:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653795 |
| Run time | 1 hours 9 min 15 sec |
| CPU time | 1 hours 6 min 6 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 | 653.74 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>
22:27:41 (14312): wrapper (7.9.26016): starting
22:27:41 (14312): 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
22:27:42 (14312): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:27:42 (14312): 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: Exiting with failure status due to previous errors
23:36:28 (14312): C:/Windows/system32/cmd.exe exited; CPU time 3966.296875
23:36:28 (14312): 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: 51114843 bytes.
Dumping objects ->
{3835176} normal block at 0x0000029517176BE0, 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 0x0000029517177270, 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 0x0000029517177190, 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 0x00000295171769B0, 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 0x0000029517176630, 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 0x0000029518C741C0, 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 0x00000295171481B0, 8 bytes long.
Data: < • > 00 00 10 17 95 02 00 00
{3833945} normal block at 0x0000029517147BC0, 8 bytes long.
Data: <ð&Í • > F0 26 CD 18 95 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000029517152220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002951713B670, 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 0x00000295171534E0, 16 bytes long.
Data: < C • > 18 43 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029517153760, 16 bytes long.
Data: <ðB • > F0 42 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002951714E700, 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 0x0000029517153A30, 16 bytes long.
Data: <ÈB • > C8 42 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029517153440, 16 bytes long.
Data: < B • > A0 42 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029517153CB0, 16 bytes long.
Data: <xB • > 78 42 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029517153E40, 16 bytes long.
Data: <PB • > 50 42 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002951714C630, 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 0x0000029517153AD0, 16 bytes long.
Data: <X[ • > 58 5B 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002951714E2E0, 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 0x00000295171533F0, 16 bytes long.
Data: <0[ • > 30 5B 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029517153C60, 16 bytes long.
Data: < [ • > 08 5B 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029517153350, 16 bytes long.
Data: <àZ • > E0 5A 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029517153940, 16 bytes long.
Data: <¸Z • > B8 5A 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000295171538F0, 16 bytes long.
Data: < Z • > 90 5A 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029517153620, 16 bytes long.
Data: <hZ • > 68 5A 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002951714E220, 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 0x00000295171532B0, 16 bytes long.
Data: <@Z • > 40 5A 13 17 95 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029517135A40, 320 bytes long.
Data: <°2 • â • > B0 32 15 17 95 02 00 00 20 E2 14 17 95 02 00 00
{268} normal block at 0x0000029517153080, 16 bytes long.
Data: <0B • > 30 42 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029517153B70, 16 bytes long.
Data: < B • > 08 42 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002951714E6A0, 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 0x0000029517153C10, 16 bytes long.
Data: <àA • > E0 41 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002951714D920, 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 0x0000029517153A80, 16 bytes long.
Data: <(A • > 28 41 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029517153260, 16 bytes long.
Data: < A • > 00 41 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000295171539E0, 16 bytes long.
Data: <Ø@ • > D8 40 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000295171533A0, 16 bytes long.
Data: <°@ • > B0 40 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000295171530D0, 16 bytes long.
Data: < @ • > 88 40 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029517153210, 16 bytes long.
Data: <`@ • > 60 40 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000029517153300, 16 bytes long.
Data: <pË • > 70 CB 14 17 95 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002951714CB70, 40 bytes long.
Data: < 3 • ÀAÇ • > 00 33 15 17 95 02 00 00 C0 41 C7 18 95 02 00 00
{254} normal block at 0x0000029517153850, 16 bytes long.
Data: <@@ • > 40 40 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000029517153D00, 16 bytes long.
Data: < @ • > 18 40 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002951714DFE0, 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 0x0000029517153B20, 16 bytes long.
Data: <ð? • > F0 3F 15 17 95 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000029517153FF0, 992 bytes long.
Data: < ; • àß • > 20 3B 15 17 95 02 00 00 E0 DF 14 17 95 02 00 00
{86} normal block at 0x000002951714DAA0, 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 0x00000295171478A0, 16 bytes long.
Data: < Ë • > 00 CB 14 17 95 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002951714CB00, 40 bytes long.
Data: < x •  Ú • > A0 78 14 17 95 02 00 00 A0 DA 14 17 95 02 00 00
{63} normal block at 0x0000029517147800, 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 0x00000295171486B0, 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 0x0000029517147AD0, 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 0x0000029517148020, 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 0x0000029517147FD0, 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 0x0000029517148610, 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 0x0000029517147EE0, 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 0x00000295171482F0, 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 0x0000029517148750, 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 0x0000029517147CB0, 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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