Task 38685456

Name test_117-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9487_0
Workunit 31626922
Created 27 Oct 2026, 21:07:59 UTC
Sent 27 Oct 2026, 21:08:15 UTC
Report deadline 1 Nov 2026, 21:08:15 UTC
Received 27 Oct 2026, 21:40:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 30 min 15 sec
CPU time 26 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.35 MB
Peak swap size 3.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:11:10 (16884): wrapper (7.9.26016): starting
14:11:10 (16884): 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
14:11:11 (16884): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:11:11 (16884): 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 'D:\S0_4_Boinc-Ssd_mp_80GB\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 'D:\S0_4_Boinc-Ssd_mp_80GB\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
14:39:26 (16884): C:/Windows/system32/cmd.exe exited; CPU time 1570.859375
14:39:26 (16884): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 20355311 bytes.
Dumping objects ->
{3835275} normal block at 0x00000279D5F27610, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835264} normal block at 0x00000279D43CA9C0, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835253} normal block at 0x00000279D43CACD0, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835242} normal block at 0x00000279D43CAB80, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835231} normal block at 0x00000279D43CADB0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835200} normal block at 0x00000279D5F27310, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835189} normal block at 0x00000279D5F41430, 102 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) : {3835186} normal block at 0x00000279D43A2620, 8 bytes long.
 Data: <  4&#212;y   > 00 00 34 D4 79 02 00 00 
{3834579} normal block at 0x00000279D5F40B40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x00000279D43A1E50, 8 bytes long.
 Data: < &#233;&#227;&#213;y   > 90 E9 E3 D5 79 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000279D43A2B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000279D4397D10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x00000279D43A8280, 16 bytes long.
 Data: <&#248;&#135;:&#212;y           > F8 87 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000279D43A81E0, 16 bytes long.
 Data: <&#208;&#135;:&#212;y           > D0 87 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000279D439F240, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x00000279D43A8190, 16 bytes long.
 Data: <&#168;&#135;:&#212;y           > A8 87 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000279D43A7FB0, 16 bytes long.
 Data: < &#135;:&#212;y           > 80 87 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000279D43A76F0, 16 bytes long.
 Data: <X&#135;:&#212;y           > 58 87 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000279D43A7F60, 16 bytes long.
 Data: <0&#135;:&#212;y           > 30 87 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000279D43A0860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x00000279D43A7C40, 16 bytes long.
 Data: <  9&#212;y           > 98 04 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000279D439F180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x00000279D43A7DD0, 16 bytes long.
 Data: <p 9&#212;y           > 70 04 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000279D43A7BA0, 16 bytes long.
 Data: <H 9&#212;y           > 48 04 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000279D43A7B50, 16 bytes long.
 Data: <  9&#212;y           > 20 04 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000279D43A8140, 16 bytes long.
 Data: <&#248; 9&#212;y           > F8 03 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000279D43A79C0, 16 bytes long.
 Data: <&#208; 9&#212;y           > D0 03 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000279D43A7E70, 16 bytes long.
 Data: <&#168; 9&#212;y           > A8 03 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000279D439EFA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x00000279D43A8050, 16 bytes long.
 Data: <  9&#212;y           > 80 03 39 D4 79 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000279D4390380, 320 bytes long.
 Data: <P :&#212;y   &#160;&#239;9&#212;y   > 50 80 3A D4 79 02 00 00 A0 EF 39 D4 79 02 00 00 
{290} normal block at 0x00000279D43A80A0, 16 bytes long.
 Data: < &#135;:&#212;y           > 10 87 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000279D43A7AB0, 16 bytes long.
 Data: <&#232;&#134;:&#212;y           > E8 86 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000279D439EB20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x00000279D43A7B00, 16 bytes long.
 Data: <&#192;&#134;:&#212;y           > C0 86 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000279D439F6C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x00000279D43A7D80, 16 bytes long.
 Data: < &#134;:&#212;y           > 08 86 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000279D43A7E20, 16 bytes long.
 Data: <&#224;&#133;:&#212;y           > E0 85 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000279D43A7830, 16 bytes long.
 Data: <&#184;&#133;:&#212;y           > B8 85 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000279D43A80F0, 16 bytes long.
 Data: < &#133;:&#212;y           > 90 85 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000279D43A7560, 16 bytes long.
 Data: <h&#133;:&#212;y           > 68 85 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000279D43A7EC0, 16 bytes long.
 Data: <@&#133;:&#212;y           > 40 85 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000279D43A7D30, 16 bytes long.
 Data: <@ :&#212;y           > 40 02 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000279D43A0240, 40 bytes long.
 Data: <0}:&#212;y    s&#242;&#213;y   > 30 7D 3A D4 79 02 00 00 10 73 F2 D5 79 02 00 00 
{276} normal block at 0x00000279D43A8000, 16 bytes long.
 Data: < &#133;:&#212;y           > 20 85 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000279D43A7A60, 16 bytes long.
 Data: <&#248;&#132;:&#212;y           > F8 84 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000279D439F480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x00000279D43A7A10, 16 bytes long.
 Data: <&#208;&#132;:&#212;y           > D0 84 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000279D43A84D0, 992 bytes long.
 Data: < z:&#212;y    &#244;9&#212;y   > 10 7A 3A D4 79 02 00 00 80 F4 39 D4 79 02 00 00 
{108} normal block at 0x00000279D439EDC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x00000279D43A2A80, 16 bytes long.
 Data: <p :&#212;y           > 70 04 3A D4 79 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000279D43A0470, 40 bytes long.
 Data: < *:&#212;y   &#192;&#237;9&#212;y   > 80 2A 3A D4 79 02 00 00 C0 ED 39 D4 79 02 00 00 
{85} normal block at 0x00000279D43A1C20, 16 bytes long.
 Data: < &#234;&#200;&#204;&#247;           > 80 EA C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000279D43A1D60, 16 bytes long.
 Data: <@&#233;&#200;&#204;&#247;           > 40 E9 C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000279D43A2210, 16 bytes long.
 Data: <&#248;W&#197;&#204;&#247;           > F8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000279D43A1BD0, 16 bytes long.
 Data: <&#216;W&#197;&#204;&#247;           > D8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000279D43A2170, 16 bytes long.
 Data: <P &#197;&#204;&#247;           > 50 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000279D43A28A0, 16 bytes long.
 Data: <0 &#197;&#204;&#247;           > 30 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000279D43A2760, 16 bytes long.
 Data: <&#224; &#197;&#204;&#247;           > E0 02 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000279D43A20D0, 16 bytes long.
 Data: <  &#197;&#204;&#247;           > 10 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000279D43A2030, 16 bytes long.
 Data: <p &#197;&#204;&#247;           > 70 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000279D43A2120, 16 bytes long.
 Data: < &#192;&#195;&#204;&#247;           > 18 C0 C3 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra